#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/11/7011133.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7011133
loop_
_publ_author_name
'Michael I. Bruce'
'Karine Costuas'
'Jean-François Halet'
'Ben C. Hall'
'Paul J. Low'
'Brian K. Nicholson'
'Brian W. Skelton'
'Allan H. White'
_publ_section_title
;
 Preparation of buta-1,3-diynyl complexes of platinum(II) and their use
 in the construction of neutral molecular squares: synthesis,
 structural and theoretical characterisation of
 cyclo-{Pt(μ-CCCC)(dppe)}4 and related chemistry
;
_journal_issue                   3
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              383
_journal_page_last               398
_journal_paper_doi               10.1039/b107929h
_journal_year                    2002
_chemical_formula_sum            'C129 H123 O5.5 P8 Pt4 S4.5'
_chemical_formula_weight         2933.81
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             01-04-01
_audit_creation_method           Xtal3.6
_cell_angle_alpha                90.00000
_cell_angle_beta                 91.9370(10)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   21.5240(10)
_cell_length_b                   30.235(2)
_cell_length_c                   19.1550(10)
_cell_measurement_reflns_used    7551
_cell_measurement_temperature    300
_cell_measurement_theta_max      28.3
_cell_measurement_theta_min      0
_cell_volume                     12458.5(12)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        xtal
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  xtal
_computing_structure_solution    xtal
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_detector       'CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         Mo-K\a
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .145
_diffrn_reflns_av_sigmaI/netI    .252
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            139421
_diffrn_reflns_theta_max         24.79
_diffrn_reflns_theta_min         .95
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    4.707
_exptl_absorpt_correction_T_max  .831
_exptl_absorpt_correction_T_min  .6
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS; Sheldrick, 1996
;
_exptl_crystal_density_diffrn    1.564
_exptl_crystal_description       rod
_exptl_crystal_F_000             5780
_exptl_crystal_size_max          .35
_exptl_crystal_size_mid          .1
_exptl_crystal_size_min          .1
_refine_diff_density_max         2.019
_refine_diff_density_min         -.86
_refine_ls_goodness_of_fit_all   1.035
_refine_ls_goodness_of_fit_ref   1.232
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           atomblock
_refine_ls_number_constraints    0
_refine_ls_number_parameters     1365
_refine_ls_number_reflns         9947
_refine_ls_number_restraints     32
_refine_ls_R_factor_all          .141
_refine_ls_R_factor_gt           .052
_refine_ls_shift/su_max          .282
_refine_ls_shift/su_mean         .007
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .064
_refine_ls_wR_factor_ref         .05
_reflns_d_resolution_high        .847
_reflns_d_resolution_low         21.42
_reflns_limit_h_max              25
_reflns_limit_h_min              0
_reflns_limit_k_max              35
_reflns_limit_k_min              0
_reflns_limit_l_max              22
_reflns_limit_l_min              -22
_reflns_number_gt                9947
_reflns_number_total             21456
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            b107929h.txt
_cod_data_source_block           br633
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'multiscan' changed to 'multi-scan'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_Hall     -p_2ybc
_cod_original_sg_symbol_H-M      P_1_21/c_1
_cod_database_code               7011133
loop_
_symmetry_equiv_pos_as_xyz
+x,+y,+z
-x,1/2+y,1/2-z
-x,-y,-z
+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 .01329(3) .572987(16) .31127(3) .0527(4) Uani ? ? 1.00000 ? ?
Pt2 .35615(3) .64199(2) .37486(3) .0710(4) Uani ? ? 1.00000 ? ?
Pt3 .48229(3) .436013(18) .18181(3) .0618(4) Uani ? ? 1.00000 ? ?
Pt4 .13606(3) .372122(18) .10258(3) .0562(4) Uani ? ? 1.00000 ? ?
P11 -.02734(18) .63556(11) .35783(19) .055(3) Uani ? ? 1.00000 ? ?
C111 -.1005(6) .6211(4) .3964(7) .069(10) Uani ? ? 1.00000 ? ?
C1111 -.0496(6) .6747(4) .2894(6) .055(9) Uani ? ? 1.00000 ? ?
C1112 -.0145(7) .6763(4) .2318(7) .078(11) Uani ? ? 1.00000 ? ?
C1113 -.0273(8) .7059(5) .1777(8) .090(13) Uani ? ? 1.00000 ? ?
C1114 -.0775(9) .7338(5) .1837(8) .108(15) Uani ? ? 1.00000 ? ?
C1115 -.1137(9) .7322(5) .2428(8) .110(14) Uani ? ? 1.00000 ? ?
C1116 -.0983(7) .7030(4) .2946(7) .073(11) Uani ? ? 1.00000 ? ?
C1121 .0142(6) .6677(4) .4233(6) .056(9) Uani ? ? 1.00000 ? ?
C1122 .0696(7) .6862(4) .4071(7) .067(10) Uani ? ? 1.00000 ? ?
C1123 .1055(7) .7101(5) .4562(8) .082(11) Uani ? ? 1.00000 ? ?
C1124 .0847(7) .7155(4) .5212(7) .073(11) Uani ? ? 1.00000 ? ?
C1125 .0296(8) .6981(4) .5387(7) .084(12) Uani ? ? 1.00000 ? ?
C1126 -.0059(7) .6743(4) .4888(7) .071(10) Uani ? ? 1.00000 ? ?
P12 -.08297(19) .54357(11) .3250(2) .062(3) Uani ? ? 1.00000 ? ?
C121 -.1356(6) .5890(4) .3488(8) .071(10) Uani ? ? 1.00000 ? ?
C1211 -.1217(6) .5148(4) .2532(7) .065(10) Uani ? ? 1.00000 ? ?
C1212 -.1026(8) .5179(6) .1898(7) .108(14) Uani ? ? 1.00000 ? ?
C1213 -.1314(9) .4942(7) .1342(8) .143(17) Uani ? ? 1.00000 ? ?
C1214 -.1820(8) .4690(6) .1466(9) .117(15) Uani ? ? 1.00000 ? ?
C1215 -.2061(9) .4663(6) .2159(9) .131(17) Uani ? ? 1.00000 ? ?
C1216 -.1741(8) .4896(6) .2665(9) .109(14) Uani ? ? 1.00000 ? ?
C1221 -.0836(6) .5035(4) .3963(7) .067(10) Uani ? ? 1.00000 ? ?
C1222 -.0483(9) .4685(5) .3952(9) .125(16) Uani ? ? 1.00000 ? ?
C1223 -.0466(9) .4388(6) .4486(10) .139(18) Uani ? ? 1.00000 ? ?
C1224 -.0823(9) .4418(5) .5021(8) .112(15) Uani ? ? 1.00000 ? ?
C1225 -.1174(11) .4761(6) .5075(11) .152(18) Uani ? ? 1.00000 ? ?
C1226 -.1213(10) .5089(5) .4520(11) .144(18) Uani ? ? 1.00000 ? ?
C11 .0976(7) .5961(4) .3112(7) .066(10) Uani ? ? 1.00000 ? ?
C12 .1523(6) .6071(4) .3164(8) .072(10) Uani ? ? 1.00000 ? ?
C13 .2141(7) .6200(4) .3286(7) .075(11) Uani ? ? 1.00000 ? ?
C14 .2689(7) .6288(4) .3441(8) .084(12) Uani ? ? 1.00000 ? ?
P21 .4554(2) .65756(17) .4077(3) .123(4) Uani ? ? 1.00000 ? ?
C2111 .5095(7) .6673(5) .3422(10) .112(14) Uani ? ? 1.00000 ? ?
C2112 .5349(16) .6288(10) .2956(16) .099(11) Uiso ? ? .50000 ? ?
C2113 .5703(16) .6304(11) .2355(17) .108(12) Uiso ? ? .50000 ? ?
C2114 .5870(16) .6699(10) .2018(17) .102(11) Uiso ? ? .50000 ? ?
C2115 .5659(14) .7070(9) .2362(15) .079(9) Uiso ? ? .50000 ? ?
C2116 .5259(14) .7054(9) .2963(15) .076(9) Uiso ? ? .50000 ? ?
C2112' .5220(15) .6394(10) .3049(16) .095(11) Uiso ? ? .50000 ? ?
C2113' .5629(16) .6533(10) .2434(17) .104(12) Uiso ? ? .50000 ? ?
C2114' .5826(16) .6918(11) .2474(17) .107(12) Uiso ? ? .50000 ? ?
C2115' .5620(15) .7218(9) .2939(16) .087(10) Uiso ? ? .50000 ? ?
C2116' .5294(15) .7103(10) .3521(16) .091(10) Uiso ? ? .50000 ? ?
C2121 .4961(11) .6233(7) .4668(11) .163(9) Uiso ? ? 1.00000 ? ?
C2122 .5532(18) .5958(12) .476(2) .130(14) Uiso ? ? .50000 ? ?
C2123 .582(2) .5650(14) .522(2) .163(18) Uiso ? ? .50000 ? ?
C2124 .5388(18) .5402(11) .5571(19) .124(14) Uiso ? ? .50000 ? ?
C2125 .486(2) .5491(15) .548(2) .19(2) Uiso ? ? .50000 ? ?
C2126 .4520(18) .5905(12) .512(2) .127(14) Uiso ? ? .50000 ? ?
C2122' .565(2) .6405(13) .477(2) .146(16) Uiso ? ? .50000 ? ?
C2123' .592(2) .6161(14) .533(2) .176(19) Uiso ? ? .50000 ? ?
C2124' .555(2) .5859(12) .564(2) .140(15) Uiso ? ? .50000 ? ?
C2125' .491(2) .5765(15) .563(2) .19(2) Uiso ? ? .50000 ? ?
C2126' .4783(17) .5923(11) .4847(17) .108(12) Uiso ? ? .50000 ? ?
C211 .4542(11) .7194(8) .4319(13) .061(19) Uani ? ? .50000 ? ?
C211' .4500(14) .6942(9) .4912(15) .08(2) Uani ? ? .50000 ? ?
C221 .4022(7) .7227(4) .4782(8) .086(12) Uani ? ? 1.00000 ? ?
P22 .3292(2) .69812(12) .4466(2) .069(3) Uani ? ? 1.00000 ? ?
C2211 .2842(7) .7453(4) .4126(7) .070(11) Uani ? ? 1.00000 ? ?
C2212 .2512(8) .7414(5) .3499(8) .093(13) Uani ? ? 1.00000 ? ?
C2213 .2167(9) .7757(5) .3239(9) .120(16) Uani ? ? 1.00000 ? ?
C2214 .2110(9) .8141(6) .3627(10) .124(16) Uani ? ? 1.00000 ? ?
C2215 .2456(9) .8191(5) .4236(10) .129(17) Uani ? ? 1.00000 ? ?
C2216 .2818(8) .7843(5) .4480(9) .107(14) Uani ? ? 1.00000 ? ?
C2221 .2908(7) .6799(4) .5234(7) .075(11) Uani ? ? 1.00000 ? ?
C2222 .2518(9) .6446(6) .5200(9) .132(17) Uani ? ? 1.00000 ? ?
C2223 .2201(9) .6303(7) .5838(11) .15(2) Uani ? ? 1.00000 ? ?
C2224 .2344(11) .6472(8) .6479(9) .17(2) Uani ? ? 1.00000 ? ?
C2225 .2637(17) .6821(10) .6418(12) .31(4) Uani ? ? 1.00000 ? ?
C2226 .2967(11) .6968(7) .5845(9) .18(2) Uani ? ? 1.00000 ? ?
C21 .3846(7) .5896(5) .3214(8) .092(12) Uani ? ? 1.00000 ? ?
C22 .4053(7) .5576(5) .2905(8) .083(11) Uani ? ? 1.00000 ? ?
C23 .4303(7) .5214(4) .2565(7) .077(11) Uani ? ? 1.00000 ? ?
C24 .4508(7) .4899(4) .2271(7) .076(11) Uani ? ? 1.00000 ? ?
P31 .52577(19) .37356(12) .1373(2) .064(3) Uani ? ? 1.00000 ? ?
C311 .5996(6) .3896(4) .1021(8) .076(11) Uani ? ? 1.00000 ? ?
C3111 .4858(6) .3391(4) .0713(6) .061(10) Uani ? ? 1.00000 ? ?
C3112 .4291(7) .3227(4) .0868(7) .074(11) Uani ? ? 1.00000 ? ?
C3113 .3992(7) .2973(4) .0343(8) .084(12) Uani ? ? 1.00000 ? ?
C3114 .4240(8) .2900(5) -.0281(7) .095(13) Uani ? ? 1.00000 ? ?
C3115 .4804(7) .3070(5) -.0418(8) .088(12) Uani ? ? 1.00000 ? ?
C3116 .5115(7) .3315(4) .0083(7) .077(11) Uani ? ? 1.00000 ? ?
C3121 .5476(6) .3352(4) .2049(7) .070(10) Uani ? ? 1.00000 ? ?
C3122 .5143(8) .3351(5) .2657(8) .103(14) Uani ? ? 1.00000 ? ?
C3123 .5272(9) .3008(7) .3161(8) .132(17) Uani ? ? 1.00000 ? ?
C3124 .5713(9) .2714(6) .3076(10) .140(18) Uani ? ? 1.00000 ? ?
C3125 .6047(9) .2729(6) .2482(9) .133(17) Uani ? ? 1.00000 ? ?
C3126 .5930(8) .3030(5) .1971(8) .100(13) Uani ? ? 1.00000 ? ?
P32 .58151(19) .46269(12) .1861(2) .066(3) Uani ? ? 1.00000 ? ?
C321 .6341(7) .4185(5) .1553(8) .083(12) Uani ? ? 1.00000 ? ?
C3211 .5909(6) .5081(4) .1252(7) .070(10) Uani ? ? 1.00000 ? ?
C3212 .5441(8) .5239(5) .0907(9) .112(15) Uani ? ? 1.00000 ? ?
C3213 .5497(9) .5572(6) .0416(10) .135(17) Uani ? ? 1.00000 ? ?
C3214 .6023(10) .5757(6) .0317(10) .132(17) Uani ? ? 1.00000 ? ?
C3215 .6533(9) .5629(6) .0723(13) .16(2) Uani ? ? 1.00000 ? ?
C3216 .6466(9) .5284(5) .1214(11) .138(17) Uani ? ? 1.00000 ? ?
C3221 .6155(8) .4824(5) .2680(8) .103(14) Uani ? ? 1.00000 ? ?
C3222 .6465(12) .4535(7) .3141(11) .19(2) Uani ? ? 1.00000 ? ?
C3223 .6748(12) .4736(9) .3789(10) .22(3) Uani ? ? 1.00000 ? ?
C3224 .6701(12) .5199(7) .3800(14) .22(3) Uani ? ? 1.00000 ? ?
C3225 .638(2) .5364(9) .3444(18) .42(5) Uani ? ? 1.00000 ? ?
C3226 .6221(17) .5197(7) .2810(14) .34(4) Uani ? ? 1.00000 ? ?
C31 .3931(6) .4155(4) .1685(8) .074(11) Uani ? ? 1.00000 ? ?
C32 .3408(7) .4083(4) .1518(8) .077(11) Uani ? ? 1.00000 ? ?
C33 .2767(7) .3986(4) .1342(7) .073(11) Uani ? ? 1.00000 ? ?
C34 .2248(6) .3899(4) .1185(7) .062(9) Uani ? ? 1.00000 ? ?
P41 .0369(2) .34700(14) .0879(2) .077(3) Uani ? ? 1.00000 ? ?
C411 .0466(8) .2875(6) .0613(10) .130(17) Uani ? ? 1.00000 ? ?
C4111 -.0110(6) .3722(4) .0212(6) .117(6) Uiso ? ? 1.00000 ? ?
C4112 .0098(8) .4030(8) -.0211(12) .090(10) Uiso ? ? .50000 ? ?
C4113 -.0272(11) .4172(7) -.0796(12) .096(11) Uiso ? ? .50000 ? ?
C4114 -.0782(11) .3959(8) -.0986(11) .103(12) Uiso ? ? .50000 ? ?
C4115 -.0992(12) .3621(10) -.0596(16) .168(14) Uiso ? ? .50000 ? ?
C4116 -.0633(11) .3479(7) .0011(11) .088(10) Uiso ? ? .50000 ? ?
C4112' .0179(9) .4173(8) .0112(18) .146(16) Uiso ? ? .50000 ? ?
C4113' -.0146(14) .4513(9) -.034(3) .30(3) Uiso ? ? .50000 ? ?
C4114' -.0768(15) .4438(9) -.056(3) .36(4) Uiso ? ? .50000 ? ?
C4115' -.1052(12) .3994(11) -.046(2) .36(4) Uiso ? ? .50000 ? ?
C4116' -.0749(12) .3671(8) .0029(19) .24(2) Uiso ? ? .50000 ? ?
C4121 -.0127(6) .3443(4) .1635(7) .071(10) Uani ? ? 1.00000 ? ?
C4122 -.0349(7) .3818(5) .1878(8) .090(12) Uani ? ? 1.00000 ? ?
C4123 -.0715(8) .3819(6) .2455(9) .123(16) Uani ? ? 1.00000 ? ?
C4124 -.0813(8) .3440(7) .2809(9) .134(16) Uani ? ? 1.00000 ? ?
C4125 -.0589(8) .3083(6) .2593(9) .118(15) Uani ? ? 1.00000 ? ?
C4126 -.0250(8) .3039(5) .1977(10) .117(16) Uani ? ? 1.00000 ? ?
P42 .16373(18) .31275(11) .0372(2) .057(3) Uani ? ? 1.00000 ? ?
C421 .0933(7) .2842(4) .0085(7) .074(11) Uani ? ? 1.00000 ? ?
C4211 .1988(7) .3270(4) -.0424(7) .074(11) Uani ? ? 1.00000 ? ?
C4212 .1831(9) .3664(6) -.0763(9) .131(17) Uani ? ? 1.00000 ? ?
C4213 .2040(11) .3771(7) -.1457(9) .16(2) Uani ? ? 1.00000 ? ?
C4214 .2442(10) .3496(6) -.1747(9) .140(18) Uani ? ? 1.00000 ? ?
C4215 .2586(9) .3134(6) -.1464(9) .133(17) Uani ? ? 1.00000 ? ?
C4216 .2375(9) .3013(5) -.0784(8) .112(15) Uani ? ? 1.00000 ? ?
C4221 .2110(6) .2706(4) .0800(7) .062(10) Uani ? ? 1.00000 ? ?
C4222 .2429(7) .2805(4) .1397(7) .067(10) Uani ? ? 1.00000 ? ?
C4223 .2790(8) .2480(5) .1735(8) .098(13) Uani ? ? 1.00000 ? ?
C4224 .2828(8) .2055(5) .1466(8) .104(14) Uani ? ? 1.00000 ? ?
C4225 .2501(8) .1950(5) .0881(8) .099(13) Uani ? ? 1.00000 ? ?
C4226 .2137(7) .2275(5) .0540(7) .080(11) Uani ? ? 1.00000 ? ?
C41 .1083(6) .4241(4) .1560(7) .063(10) Uani ? ? 1.00000 ? ?
C42 .0896(7) .4549(4) .1875(7) .067(10) Uani ? ? 1.00000 ? ?
C43 .0651(6) .4905(4) .2280(7) .065(10) Uani ? ? 1.00000 ? ?
C44 .0453(6) .5201(4) .2622(7) .059(9) Uani ? ? 1.00000 ? ?
C101 .0991(13) .4053(8) .3593(13) .24(3) Uani ? ? 1.00000 ? ?
C102 .1745(14) .3541(8) .3013(11) .22(3) Uani ? ? 1.00000 ? ?
S1 .1168(4) .3517(2) .3578(4) .186(7) Uani ? ? 1.00000 ? ?
O1 .1421(7) .3372(5) .4257(7) .163(13) Uani ? ? 1.00000 ? ?
C201 .2759(16) .6548(14) .163(2) .42(3) Uiso ? ? 1.00000 ? ?
C202 .394(2) .6136(10) .156(3) .54(7) Uani ? ? 1.00000 ? ?
S2 .3582(6) .6631(3) .1535(5) .352(14) Uani ? ? 1.00000 ? ?
O2 .3650(8) .6905(5) .0911(8) .221(18) Uani ? ? 1.00000 ? ?
C301 .337(2) .5170(10) .0767(19) .38(5) Uani ? ? 1.00000 ? ?
C302 .2108(18) .5091(12) .059(2) .36(2) Uiso ? ? 1.00000 ? ?
S3 .2602(16) .5476(8) .0760(13) .47(4) Uani ? ? .50000 ? ?
S3' .2715(6) .5276(4) .0315(7) .163(12) Uani ? ? .50000 ? ?
O3 .2711(8) .5716(5) .0059(9) .204(16) Uani ? ? 1.00000 ? ?
C401 .2520(14) .4930(8) .2833(14) .26(4) Uani ? ? 1.00000 ? ?
C402 .2870(16) .5161(9) .4087(13) .26(4) Uani ? ? 1.00000 ? ?
S4 .2962(6) .4785(3) .3560(7) .141(10) Uani ? ? .50000 ? ?
S4' .2428(9) .4789(6) .3700(9) .236(18) Uani ? ? .50000 ? ?
O4 .2688(9) .4369(5) .3906(11) .27(2) Uani ? ? 1.00000 ? ?
C501 .316(2) .3222(10) .427(2) .22(2) Uiso ? ? .50000 ? ?
C502 .3439(13) .3607(8) .3050(12) .07(2) Uani ? ? .50000 ? ?
S5 .3531(8) .3161(4) .3633(6) .238(18) Uani ? ? .50000 ? ?
O5 .3490(13) .2797(7) .3387(10) .16(3) Uani ? ? .50000 ? ?
O01 .2214(8) .4003(4) .5005(7) .174(14) Uani ? ? 1.00000 ? ?
H1112 .02089 .65699 .22632 .09800 Uiso ? ? 1.00000 ? ?
H1113 -.00176 .70688 .13575 .11300 Uiso ? ? 1.00000 ? ?
H1114 -.08931 .75315 .14371 .12000 Uiso ? ? 1.00000 ? ?
H1115 -.14708 .75360 .24433 .12900 Uiso ? ? 1.00000 ? ?
H1116 -.12397 .70276 .33558 .09500 Uiso ? ? 1.00000 ? ?
H1122 .08686 .68396 .35966 .09600 Uiso ? ? 1.00000 ? ?
H1123 .14631 .72413 .44495 .10000 Uiso ? ? 1.00000 ? ?
H1124 .10923 .73198 .55767 .09600 Uiso ? ? 1.00000 ? ?
H1125 .01641 .70173 .58673 .09900 Uiso ? ? 1.00000 ? ?
H1126 -.04593 .66336 .50360 .08600 Uiso ? ? 1.00000 ? ?
H111a -.12609 .64676 .40358 .08400 Uiso ? ? 1.00000 ? ?
H111b -.09397 .60720 .44168 .08400 Uiso ? ? 1.00000 ? ?
H121a -.17195 .57624 .37208 .08700 Uiso ? ? 1.00000 ? ?
H121b -.15216 .60340 .30783 .08700 Uiso ? ? 1.00000 ? ?
H1212 -.06681 .53614 .18177 .11400 Uiso ? ? 1.00000 ? ?
H1213 -.11326 .49630 .08696 .16800 Uiso ? ? 1.00000 ? ?
H1214 -.20082 .45208 .10760 .13200 Uiso ? ? 1.00000 ? ?
H1215 -.23951 .44686 .21997 .14800 Uiso ? ? 1.00000 ? ?
H1216 -.19050 .48857 .31311 .13000 Uiso ? ? 1.00000 ? ?
H1222 -.01667 .46537 .35799 .14300 Uiso ? ? 1.00000 ? ?
H1223 -.01983 .41298 .44658 .15800 Uiso ? ? 1.00000 ? ?
H1224 -.08106 .41832 .53631 .13000 Uiso ? ? 1.00000 ? ?
H1225 -.14189 .48030 .54847 .18300 Uiso ? ? 1.00000 ? ?
H1226 -.15123 .53383 .45276 .15700 Uiso ? ? 1.00000 ? ?
H2112 .51528 .59536 .30686 .09300 Uiso ? ? .50000 ? ?
H2113 .58210 .60118 .21437 .11500 Uiso ? ? .50000 ? ?
H2114 .60879 .66613 .16581 .09700 Uiso ? ? .50000 ? ?
H2115 .58481 .73562 .23211 .12700 Uiso ? ? .50000 ? ?
H2116 .50318 .73297 .29695 .08200 Uiso ? ? .50000 ? ?
H2112' .51931 .61123 .32103 .09300 Uiso ? ? .50000 ? ?
H2113' .56930 .62925 .21601 .11500 Uiso ? ? .50000 ? ?
H2114' .59333 .70391 .19043 .09700 Uiso ? ? .50000 ? ?
H2115' .58351 .75077 .29613 .11600 Uiso ? ? .50000 ? ?
H2116' .52295 .72280 .39373 .10200 Uiso ? ? .50000 ? ?
H211a .44619 .73735 .39368 .09100 Uiso ? ? .50000 ? ?
H211b .49008 .72766 .45777 .09100 Uiso ? ? .50000 ? ?
H211'a .48697 .70713 .50367 .10700 Uiso ? ? .50000 ? ?
H211'b .43863 .67392 .53122 .10700 Uiso ? ? .50000 ? ?
H221a .41359 .70784 .52054 .09800 Uiso ? ? .50000 ? ?
H221b .39461 .75258 .48640 .09800 Uiso ? ? .50000 ? ?
H221'a .41597 .74179 .44307 .09800 Uiso ? ? .50000 ? ?
H221'b .39416 .73822 .51924 .09800 Uiso ? ? .50000 ? ?
H2122 .57983 .60093 .43819 .14800 Uiso ? ? .50000 ? ?
H2123 .62622 .55937 .52599 .20100 Uiso ? ? .50000 ? ?
H2124 .54960 .51956 .59291 .14100 Uiso ? ? .50000 ? ?
H2125 .45775 .52307 .55102 .19900 Uiso ? ? .50000 ? ?
H2126 .40909 .59909 .52449 .19200 Uiso ? ? .50000 ? ?
H2122' .58518 .66349 .45279 .19800 Uiso ? ? .50000 ? ?
H2123' .63389 .61862 .54726 .22100 Uiso ? ? .50000 ? ?
H2124' .57762 .56656 .59450 .20100 Uiso ? ? .50000 ? ?
H2125' .46506 .56439 .59569 .19900 Uiso ? ? .50000 ? ?
H2126' .45491 .57410 .45346 .19200 Uiso ? ? .50000 ? ?
H2212 .25273 .71467 .32191 .11000 Uiso ? ? 1.00000 ? ?
H2213 .19256 .77555 .28015 .14400 Uiso ? ? 1.00000 ? ?
H2214 .18425 .83879 .34722 .15100 Uiso ? ? 1.00000 ? ?
H2215 .24473 .84723 .44971 .14800 Uiso ? ? 1.00000 ? ?
H2216 .30321 .78685 .49482 .12500 Uiso ? ? 1.00000 ? ?
H2222 .24359 .62787 .47533 .15200 Uiso ? ? 1.00000 ? ?
H2223 .18592 .60759 .57453 .16800 Uiso ? ? 1.00000 ? ?
H2224 .21733 .63343 .68772 .19300 Uiso ? ? 1.00000 ? ?
H2225 .27584 .69275 .69057 .26100 Uiso ? ? 1.00000 ? ?
H2226 .32141 .72213 .59486 .21000 Uiso ? ? 1.00000 ? ?
H3112 .41024 .32724 .13283 .09700 Uiso ? ? 1.00000 ? ?
H3113 .35637 .28621 .04444 .10700 Uiso ? ? 1.00000 ? ?
H3114 .39808 .27127 -.06086 .12200 Uiso ? ? 1.00000 ? ?
H3115 .49698 .30082 -.08682 .10500 Uiso ? ? 1.00000 ? ?
H3116 .55337 .34311 -.00128 .09700 Uiso ? ? 1.00000 ? ?
H3122 .48059 .35826 .27520 .12200 Uiso ? ? 1.00000 ? ?
H3123 .49795 .30153 .35836 .14900 Uiso ? ? 1.00000 ? ?
H3124 .57335 .24990 .34663 .15700 Uiso ? ? 1.00000 ? ?
H3125 .63713 .25084 .24665 .13900 Uiso ? ? 1.00000 ? ?
H3126 .61481 .30227 .15680 .11500 Uiso ? ? 1.00000 ? ?
H311a .59282 .40699 .05815 .09600 Uiso ? ? 1.00000 ? ?
H311b .62403 .36464 .08871 .09600 Uiso ? ? 1.00000 ? ?
H321a .67057 .43139 .13611 .09500 Uiso ? ? 1.00000 ? ?
H321b .64746 .40004 .19384 .09500 Uiso ? ? 1.00000 ? ?
H3212 .50267 .51239 .09565 .13000 Uiso ? ? 1.00000 ? ?
H3213 .51599 .56936 .01229 .15500 Uiso ? ? 1.00000 ? ?
H3214 .61172 .59929 -.00218 .15400 Uiso ? ? 1.00000 ? ?
H3215 .69442 .57850 .07054 .18300 Uiso ? ? 1.00000 ? ?
H3216 .68410 .51822 .14667 .16200 Uiso ? ? 1.00000 ? ?
H3222 .64193 .42115 .30562 .20200 Uiso ? ? 1.00000 ? ?
H3223 .69744 .45366 .41257 .25200 Uiso ? ? 1.00000 ? ?
H3224 .68905 .53160 .42768 .29100 Uiso ? ? 1.00000 ? ?
H3225 .64585 .56932 .35428 .36600 Uiso ? ? 1.00000 ? ?
H3226 .60981 .54464 .24808 .31500 Uiso ? ? 1.00000 ? ?
H4112 .05121 .41210 -.01687 .11900 Uiso ? ? .50000 ? ?
H4113 -.01731 .44340 -.10109 .12500 Uiso ? ? .50000 ? ?
H4114 -.10113 .40153 -.14016 .19700 Uiso ? ? .50000 ? ?
H4115 -.14100 .34878 -.06610 .31700 Uiso ? ? .50000 ? ?
H4116 -.07817 .32318 .02841 .15800 Uiso ? ? .50000 ? ?
H4112' .04987 .42644 .03080 .13300 Uiso ? ? .50000 ? ?
H4113' -.00424 .47398 -.05490 .25800 Uiso ? ? .50000 ? ?
H4114' -.11157 .46045 -.07772 .40100 Uiso ? ? .50000 ? ?
H4115' -.15491 .38706 -.05038 .19700 Uiso ? ? .50000 ? ?
H4116' -.09195 .33328 .01370 .15800 Uiso ? ? .50000 ? ?
H4122 -.02542 .40944 .16667 .11400 Uiso ? ? 1.00000 ? ?
H4123 -.08838 .40983 .25878 .15300 Uiso ? ? 1.00000 ? ?
H4124 -.10303 .34924 .32189 .15200 Uiso ? ? 1.00000 ? ?
H4125 -.06786 .28304 .28729 .14200 Uiso ? ? 1.00000 ? ?
H4126 -.01095 .27728 .18354 .14600 Uiso ? ? 1.00000 ? ?
H411a .00586 .27465 .04901 .12400 Uiso ? ? 1.00000 ? ?
H411b .05906 .26980 .10515 .12400 Uiso ? ? 1.00000 ? ?
H421a .10057 .25396 -.00100 .09100 Uiso ? ? 1.00000 ? ?
H421b .07464 .29786 -.03212 .09100 Uiso ? ? 1.00000 ? ?
H4212 .15786 .38730 -.05182 .13900 Uiso ? ? 1.00000 ? ?
H4213 .18883 .40319 -.16639 .18300 Uiso ? ? 1.00000 ? ?
H4214 .26071 .35788 -.21843 .15900 Uiso ? ? 1.00000 ? ?
H4215 .28318 .29181 -.17044 .14400 Uiso ? ? 1.00000 ? ?
H4216 .25110 .27227 -.05763 .12100 Uiso ? ? 1.00000 ? ?
H4222 .24135 .30990 .16078 .08600 Uiso ? ? 1.00000 ? ?
H4223 .30458 .25508 .21591 .11500 Uiso ? ? 1.00000 ? ?
H4224 .30691 .18296 .17010 .12300 Uiso ? ? 1.00000 ? ?
H4225 .25354 .16520 .06827 .11700 Uiso ? ? 1.00000 ? ?
H4226 .19033 .21984 .01097 .09600 Uiso ? ? 1.00000 ? ?
H101a .08239 .41491 .31630 .28700 Uiso ? ? 1.00000 ? ?
H101b .13636 .42244 .37075 .28700 Uiso ? ? 1.00000 ? ?
H101c .07038 .41095 .39547 .28700 Uiso ? ? 1.00000 ? ?
H102a .19104 .32689 .29146 .25600 Uiso ? ? 1.00000 ? ?
H102b .20761 .37358 .31993 .25600 Uiso ? ? 1.00000 ? ?
H102c .15972 .36836 .25809 .25600 Uiso ? ? 1.00000 ? ?
H201a .27029 .63712 .19645 .45400 Uiso ? ? 1.00000 ? ?
H201b .26651 .63754 .11542 .45400 Uiso ? ? 1.00000 ? ?
H201c .25725 .68105 .15674 .45400 Uiso ? ? 1.00000 ? ?
H202a .43390 .61821 .15448 .74600 Uiso ? ? 1.00000 ? ?
H202b .37663 .59906 .11348 .74600 Uiso ? ? 1.00000 ? ?
H202c .37915 .59810 .19449 .74600 Uiso ? ? 1.00000 ? ?
H301a .32946 .49948 .12359 .35200 Uiso ? ? .50000 ? ?
H301b .36637 .53670 .08771 .35200 Uiso ? ? .50000 ? ?
H301c .34039 .49721 .04403 .35200 Uiso ? ? .50000 ? ?
H301'a .36958 .51979 .05643 .35200 Uiso ? ? .50000 ? ?
H301'b .33197 .48755 .10179 .35200 Uiso ? ? .50000 ? ?
H301'c .33251 .53779 .11843 .35200 Uiso ? ? .50000 ? ?
H302a .21102 .49085 .01489 .41500 Uiso ? ? .50000 ? ?
H302b .20281 .48717 .09482 .41500 Uiso ? ? .50000 ? ?
H302c .16520 .52233 .05170 .41500 Uiso ? ? .50000 ? ?
H302'a .20772 .47595 .06289 .41500 Uiso ? ? .50000 ? ?
H302'b .19662 .52073 .09999 .41500 Uiso ? ? .50000 ? ?
H302'c .16775 .51185 .02711 .41500 Uiso ? ? .50000 ? ?
H401a .25254 .46884 .25049 .26700 Uiso ? ? .50000 ? ?
H401b .27369 .51758 .26003 .26700 Uiso ? ? .50000 ? ?
H401c .21347 .50119 .29401 .26700 Uiso ? ? .50000 ? ?
H401'a .23452 .52037 .27001 .26700 Uiso ? ? .50000 ? ?
H401'b .23700 .47016 .25368 .26700 Uiso ? ? .50000 ? ?
H401'c .29760 .49552 .27396 .26700 Uiso ? ? .50000 ? ?
H402a .30983 .51246 .45253 .27500 Uiso ? ? .50000 ? ?
H402b .24440 .52134 .41901 .27500 Uiso ? ? .50000 ? ?
H402c .30207 .54518 .39046 .27500 Uiso ? ? .50000 ? ?
H402'a .28379 .51541 .45912 .27500 Uiso ? ? .50000 ? ?
H402'b .27420 .54722 .39613 .27500 Uiso ? ? .50000 ? ?
H402'c .32940 .51422 .39815 .27500 Uiso ? ? .50000 ? ?
H501a .33326 .34898 .45067 .33000 Uiso ? ? .50000 ? ?
H501b .27582 .32568 .41617 .33000 Uiso ? ? .50000 ? ?
H501c .32418 .29862 .45968 .33000 Uiso ? ? .50000 ? ?
H502a .30387 .36036 .29112 .12000 Uiso ? ? .50000 ? ?
H502b .37171 .35254 .26917 .12000 Uiso ? ? .50000 ? ?
H502c .35812 .38556 .32876 .12000 Uiso ? ? .50000 ? ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C ? 0 516 .002014 .002014 'Int Tables Vol IV Tables 2.2B and 2.3.1'
H ? 0 492 0 0 'Int Tables Vol IV Tables 2.2B and 2.3.1'
O ? 0 22 .007996 .005981 'Int Tables Vol IV Tables 2.2B and 2.3.1'
P ? 0 32 .090027 .094971 'Int Tables Vol IV Tables 2.2B and 2.3.1'
Pt ? 0 16 -2.352 8.388 'Int Tables Vol IV Tables 2.2B and 2.3.1'
S ? 0 18 .109985 .124023 'Int Tables Vol IV Tables 2.2B and 2.3.1'
loop_
_diffrn_attenuator_code
_diffrn_attenuator_scale
? ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
P11 Pt1 P12 . . . 85.20(13) ?
P11 Pt1 C11 . . . 94.2(4) ?
P11 Pt1 C44 . . . 174.7(4) ?
P12 Pt1 C11 . . . 173.1(4) ?
P12 Pt1 C44 . . . 94.1(4) ?
C11 Pt1 C44 . . . 87.2(5) ?
C14 Pt2 P21 . . . 178.9(5) ?
C14 Pt2 P22 . . . 94.1(4) ?
C14 Pt2 C21 . . . 89.5(6) ?
P21 Pt2 P22 . . . 86.23(17) ?
P21 Pt2 C21 . . . 90.3(5) ?
P22 Pt2 C21 . . . 173.5(4) ?
C24 Pt3 P31 . . . 174.7(4) ?
C24 Pt3 P32 . . . 91.6(4) ?
C24 Pt3 C31 . . . 88.3(6) ?
P31 Pt3 P32 . . . 84.89(14) ?
P31 Pt3 C31 . . . 95.6(4) ?
P32 Pt3 C31 . . . 174.2(4) ?
C34 Pt4 P41 . . . 175.8(4) ?
C34 Pt4 P42 . . . 91.7(4) ?
C34 Pt4 C41 . . . 90.6(5) ?
P41 Pt4 P42 . . . 86.02(14) ?
P41 Pt4 C41 . . . 91.8(4) ?
P42 Pt4 C41 . . . 177.0(4) ?
Pt1 P11 C111 . . . 108.0(4) ?
Pt1 P11 C1111 . . . 110.7(4) ?
Pt1 P11 C1121 . . . 122.2(4) ?
C111 P11 C1111 . . . 103.8(6) ?
C111 P11 C1121 . . . 105.3(6) ?
C1111 P11 C1121 . . . 105.3(6) ?
P11 C111 C121 . . . 109.3(9) ?
P11 C111 H111a . . . 111.8(10) ?
P11 C111 H111b . . . 111.5(10) ?
C121 C111 H111a . . . 109.0(11) ?
C121 C111 H111b . . . 108.3(11) ?
H111a C111 H111b . . . 106.7(13) ?
P11 C1111 C1112 . . . 117.9(10) ?
P11 C1111 C1116 . . . 122.8(10) ?
C1112 C1111 C1116 . . . 119.2(12) ?
C1111 C1112 C1113 . . . 121.8(13) ?
C1111 C1112 H1112 . . . 121.8(13) ?
C1113 C1112 H1112 . . . 116.4(14) ?
C1112 C1113 C1114 . . . 117.9(15) ?
C1112 C1113 H1113 . . . 121.6(15) ?
C1114 C1113 H1113 . . . 120.5(15) ?
C1113 C1114 C1115 . . . 120.4(14) ?
C1113 C1114 H1114 . . . 118.6(16) ?
C1115 C1114 H1114 . . . 120.8(17) ?
C1114 C1115 C1116 . . . 119.0(16) ?
C1114 C1115 H1115 . . . 115.9(15) ?
C1116 C1115 H1115 . . . 125.1(16) ?
C1111 C1116 C1115 . . . 121.6(14) ?
C1111 C1116 H1116 . . . 120.9(12) ?
C1115 C1116 H1116 . . . 117.5(14) ?
P11 C1121 C1122 . . . 118.7(9) ?
P11 C1121 C1126 . . . 123.9(10) ?
C1122 C1121 C1126 . . . 117.4(12) ?
C1121 C1122 C1123 . . . 121.8(13) ?
C1121 C1122 H1122 . . . 122.4(13) ?
C1123 C1122 H1122 . . . 115.7(14) ?
C1122 C1123 C1124 . . . 119.4(14) ?
C1122 C1123 H1123 . . . 122.7(15) ?
C1124 C1123 H1123 . . . 117.8(14) ?
C1123 C1124 C1125 . . . 120.3(13) ?
C1123 C1124 H1124 . . . 121.6(14) ?
C1125 C1124 H1124 . . . 118.1(13) ?
C1124 C1125 C1126 . . . 119.6(13) ?
C1124 C1125 H1125 . . . 118.4(14) ?
C1126 C1125 H1125 . . . 122.0(15) ?
C1121 C1126 C1125 . . . 121.5(14) ?
C1121 C1126 H1126 . . . 122.2(13) ?
C1125 C1126 H1126 . . . 116.3(13) ?
Pt1 P12 C121 . . . 107.8(4) ?
Pt1 P12 C1211 . . . 119.9(5) ?
Pt1 P12 C1221 . . . 112.0(4) ?
C121 P12 C1211 . . . 105.9(6) ?
C121 P12 C1221 . . . 106.8(6) ?
C1211 P12 C1221 . . . 103.6(6) ?
C111 C121 P12 . . . 109.1(9) ?
C111 C121 H121a . . . 111.3(13) ?
C111 C121 H121b . . . 111.5(11) ?
P12 C121 H121a . . . 108.7(9) ?
P12 C121 H121b . . . 110.5(11) ?
H121a C121 H121b . . . 105.6(12) ?
P12 C1211 C1212 . . . 121.6(11) ?
P12 C1211 C1216 . . . 118.7(11) ?
C1212 C1211 C1216 . . . 119.7(14) ?
C1211 C1212 C1213 . . . 121.7(16) ?
C1211 C1212 H1212 . . . 118.1(14) ?
C1213 C1212 H1212 . . . 120.2(14) ?
C1212 C1213 C1214 . . . 119.2(15) ?
C1212 C1213 H1213 . . . 118.4(18) ?
C1214 C1213 H1213 . . . 122.3(17) ?
C1213 C1214 C1215 . . . 120.5(16) ?
C1213 C1214 H1214 . . . 118.2(17) ?
C1215 C1214 H1214 . . . 121.2(17) ?
C1214 C1215 C1216 . . . 115.8(17) ?
C1214 C1215 H1215 . . . 114.4(16) ?
C1216 C1215 H1215 . . . 129.5(18) ?
C1211 C1216 C1215 . . . 123.0(16) ?
C1211 C1216 H1216 . . . 120.5(16) ?
C1215 C1216 H1216 . . . 116.5(17) ?
P12 C1221 C1222 . . . 120.5(12) ?
P12 C1221 C1226 . . . 121.5(11) ?
C1222 C1221 C1226 . . . 118.0(14) ?
C1221 C1222 C1223 . . . 121.6(17) ?
C1221 C1222 H1222 . . . 119.8(15) ?
C1223 C1222 H1222 . . . 117.9(17) ?
C1222 C1223 C1224 . . . 122.9(17) ?
C1222 C1223 H1223 . . . 120.1(19) ?
C1224 C1223 H1223 . . . 116.9(18) ?
C1223 C1224 C1225 . . . 118.8(17) ?
C1223 C1224 H1224 . . . 118.6(17) ?
C1225 C1224 H1224 . . . 122.7(18) ?
C1224 C1225 C1226 . . . 121(2) ?
C1224 C1225 H1225 . . . 120(2) ?
C1226 C1225 H1225 . . . 118.9(19) ?
C1221 C1226 C1225 . . . 117.8(16) ?
C1221 C1226 H1226 . . . 120.2(17) ?
C1225 C1226 H1226 . . . 122(2) ?
Pt1 C11 C12 . . . 173.0(12) ?
C11 C12 C13 . . . 175.0(16) ?
C12 C13 C14 . . . 174.4(14) ?
Pt2 C14 C13 . . . 176.6(13) ?
Pt2 P21 C2111 . . . 118.5(6) ?
Pt2 P21 C2121 . . . 120.4(8) ?
Pt2 P21 C211 . . . 104.4(7) ?
Pt2 P21 C211' . . . 105.4(9) ?
C2111 P21 C2121 . . . 103.4(9) ?
C2111 P21 C211 . . . 91.4(9) ?
C2111 P21 C211' . . . 123.1(10) ?
C2121 P21 C211 . . . 115.5(10) ?
C2121 P21 C211' . . . 81.3(11) ?
C211 P21 C211' . . . 41.5(11) ?
P21 C2111 C2112 . . . 122.0(15) ?
P21 C2111 C2116 . . . 136.0(15) ?
P21 C2111 C2112' . . . 120(2) ?
P21 C2111 C2116' . . . 105.6(17) ?
C2112 C2111 C2116 . . . 98.2(19) ?
C2112 C2111 C2112' . . . 7(2) ?
C2112 C2111 C2116' . . . 131(2) ?
C2116 C2111 C2112' . . . 98(2) ?
C2116 C2111 C2116' . . . 43.8(17) ?
C2112' C2111 C2116' . . . 135(3) ?
C2111 C2112 C2113 . . . 130(3) ?
C2111 C2112 C2112' . . . 18(5) ?
C2111 C2112 C2113' . . . 100(2) ?
C2111 C2112 H2112 . . . 115(3) ?
C2111 C2112 H2112' . . . 89(3) ?
C2113 C2112 C2112' . . . 130(6) ?
C2113 C2112 C2113' . . . 30(2) ?
C2113 C2112 H2112 . . . 114(3) ?
C2113 C2112 H2112' . . . 140(4) ?
C2112' C2112 C2113' . . . 101(6) ?
C2112' C2112 H2112 . . . 108(6) ?
C2112' C2112 H2112' . . . 87(6) ?
C2113' C2112 H2112 . . . 142(3) ?
C2113' C2112 H2112' . . . 170(4) ?
H2112 C2112 H2112' . . . 27.9(11) ?
C2112 C2113 C2114 . . . 124(3) ?
C2112 C2113 C2112' . . . 11.8(16) ?
C2112 C2113 C2113' . . . 75(4) ?
C2112 C2113 C2114' . . . 91(2) ?
C2112 C2113 H2113 . . . 117(3) ?
C2112 C2113 H2113' . . . 143(7) ?
C2114 C2113 C2112' . . . 113(3) ?
C2114 C2113 C2113' . . . 49(4) ?
C2114 C2113 C2114' . . . 35.5(18) ?
C2114 C2113 H2113 . . . 119(3) ?
C2114 C2113 H2113' . . . 68(5) ?
C2112' C2113 C2113' . . . 63(4) ?
C2112' C2113 C2114' . . . 81(2) ?
C2112' C2113 H2113 . . . 128(3) ?
C2112' C2113 H2113' . . . 140(6) ?
C2113' C2113 C2114' . . . 22(3) ?
C2113' C2113 H2113 . . . 168(5) ?
C2113' C2113 H2113' . . . 107(7) ?
C2114' C2113 H2113 . . . 151(3) ?
C2114' C2113 H2113' . . . 102(5) ?
H2113 C2113 H2113' . . . 62(5) ?
C2113 C2114 C2115 . . . 112(3) ?
C2113 C2114 C2113' . . . 31(2) ?
C2113 C2114 C2114' . . . 97(3) ?
C2113 C2114 H2114 . . . 114(3) ?
C2113 C2114 H2113' . . . 15.3(14) ?
C2113 C2114 H2114' . . . 162(3) ?
C2115 C2114 C2113' . . . 82(3) ?
C2115 C2114 C2114' . . . 26(2) ?
C2115 C2114 H2114 . . . 134(3) ?
C2115 C2114 H2113' . . . 124(3) ?
C2115 C2114 H2114' . . . 50.1(18) ?
C2113' C2114 C2114' . . . 69(3) ?
C2113' C2114 H2114 . . . 145(4) ?
C2113' C2114 H2113' . . . 43(2) ?
C2113' C2114 H2114' . . . 132(4) ?
C2114' C2114 H2114 . . . 142(4) ?
C2114' C2114 H2113' . . . 111(3) ?
C2114' C2114 H2114' . . . 66(2) ?
H2114 C2114 H2113' . . . 102(3) ?
H2114 C2114 H2114' . . . 83(3) ?
H2113' C2114 H2114' . . . 171(3) ?
C2114 C2115 C2116 . . . 124(3) ?
C2114 C2115 C2113' . . . 41(2) ?
C2114 C2115 C2114' . . . 51(4) ?
C2114 C2115 C2115' . . . 141(3) ?
C2114 C2115 H2115 . . . 123(3) ?
C2114 C2115 H2114' . . . 49.1(18) ?
C2116 C2115 C2113' . . . 83(2) ?
C2116 C2115 C2114' . . . 93(4) ?
C2116 C2115 C2115' . . . 39(2) ?
C2116 C2115 H2115 . . . 111(3) ?
C2116 C2115 H2114' . . . 173(3) ?
C2113' C2115 C2114' . . . 42(4) ?
C2113' C2115 C2115' . . . 107(3) ?
C2113' C2115 H2115 . . . 157(3) ?
C2113' C2115 H2114' . . . 90(2) ?
C2114' C2115 C2115' . . . 91(4) ?
C2114' C2115 H2115 . . . 117(5) ?
C2114' C2115 H2114' . . . 84(4) ?
C2115' C2115 H2115 . . . 77(2) ?
C2115' C2115 H2114' . . . 147(3) ?
H2115 C2115 H2114' . . . 76(2) ?
C2111 C2116 C2115 . . . 130(2) ?
C2111 C2116 C2114' . . . 110(2) ?
C2111 C2116 C2115' . . . 131(3) ?
C2111 C2116 C2116' . . . 62(2) ?
C2111 C2116 H2116 . . . 122(3) ?
C2115 C2116 C2114' . . . 22.4(17) ?
C2115 C2116 C2115' . . . 55(3) ?
C2115 C2116 C2116' . . . 139(3) ?
C2115 C2116 H2116 . . . 107(3) ?
C2114' C2116 C2115' . . . 57(3) ?
C2114' C2116 C2116' . . . 125(3) ?
C2114' C2116 H2116 . . . 128(3) ?
C2115' C2116 C2116' . . . 87(3) ?
C2115' C2116 H2116 . . . 88(3) ?
C2116' C2116 H2116 . . . 84(3) ?
C2111 C2112' C2112 . . . 155(7) ?
C2111 C2112' C2113 . . . 139(3) ?
C2111 C2112' C2113' . . . 115(3) ?
C2111 C2112' H2112 . . . 133(3) ?
C2111 C2112' H2112' . . . 117(3) ?
C2112 C2112' C2113 . . . 38(5) ?
C2112 C2112' C2113' . . . 62(5) ?
C2112 C2112' H2112 . . . 52(5) ?
C2112 C2112' H2112' . . . 62(5) ?
C2113 C2112' C2113' . . . 24.8(17) ?
C2113 C2112' H2112 . . . 86(2) ?
C2113 C2112' H2112' . . . 99(3) ?
C2113' C2112' H2112 . . . 111(2) ?
C2113' C2112' H2112' . . . 124(3) ?
H2112 C2112' H2112' . . . 18.3(8) ?
C2112 C2113' C2113 . . . 75(4) ?
C2112 C2113' C2114 . . . 175(4) ?
C2112 C2113' C2115 . . . 127(3) ?
C2112 C2113' C2112' . . . 17.1(18) ?
C2112 C2113' C2114' . . . 127(3) ?
C2112 C2113' H2113' . . . 94(3) ?
C2113 C2113' C2114 . . . 100(5) ?
C2113 C2113' C2115 . . . 157(5) ?
C2113 C2113' C2112' . . . 92(4) ?
C2113 C2113' C2114' . . . 146(5) ?
C2113 C2113' H2113' . . . 23(3) ?
C2114 C2113' C2115 . . . 57(2) ?
C2114 C2113' C2112' . . . 168(3) ?
C2114 C2113' C2114' . . . 56(3) ?
C2114 C2113' H2113' . . . 82(3) ?
C2115 C2113' C2112' . . . 111(2) ?
C2115 C2113' C2114' . . . 19(2) ?
C2115 C2113' H2113' . . . 138(3) ?
C2112' C2113' C2114' . . . 114(3) ?
C2112' C2113' H2113' . . . 109(3) ?
C2114' C2113' H2113' . . . 137(4) ?
C2113 C2114' C2114 . . . 48(2) ?
C2113 C2114' C2115 . . . 128(5) ?
C2113 C2114' C2116 . . . 102(2) ?
C2113 C2114' C2113' . . . 12(2) ?
C2113 C2114' C2115' . . . 134(3) ?
C2113 C2114' H2115 . . . 160(3) ?
C2113 C2114' H2114' . . . 103(2) ?
C2114 C2114' C2115 . . . 104(5) ?
C2114 C2114' C2116 . . . 134(3) ?
C2114 C2114' C2113' . . . 55(3) ?
C2114 C2114' C2115' . . . 164(4) ?
C2114 C2114' H2115 . . . 114(3) ?
C2114 C2114' H2114' . . . 55(2) ?
C2115 C2114' C2116 . . . 65(4) ?
C2115 C2114' C2113' . . . 119(5) ?
C2115 C2114' C2115' . . . 62(4) ?
C2115 C2114' H2115 . . . 39(3) ?
C2115 C2114' H2114' . . . 65(4) ?
C2116 C2114' C2113' . . . 91(3) ?
C2116 C2114' C2115' . . . 34.9(18) ?
C2116 C2114' H2115 . . . 85(2) ?
C2116 C2114' H2114' . . . 129(3) ?
C2113' C2114' C2115' . . . 123(3) ?
C2113' C2114' H2115 . . . 156(3) ?
C2113' C2114' H2114' . . . 108(3) ?
C2115' C2114' H2115 . . . 60.2(19) ?
C2115' C2114' H2114' . . . 119(3) ?
H2115 C2114' H2114' . . . 59.3(15) ?
C2115 C2115' C2116 . . . 86(3) ?
C2115 C2115' C2114' . . . 27(2) ?
C2115 C2115' C2116' . . . 135(3) ?
C2115 C2115' H2115 . . . 43.5(17) ?
C2115 C2115' H2116 . . . 104(3) ?
C2115 C2115' H2115' . . . 109(3) ?
C2116 C2115' C2114' . . . 88(3) ?
C2116 C2115' C2116' . . . 51(3) ?
C2116 C2115' H2115 . . . 122(3) ?
C2116 C2115' H2116 . . . 47(2) ?
C2116 C2115' H2115' . . . 150(4) ?
C2114' C2115' C2116' . . . 123(3) ?
C2114' C2115' H2115 . . . 60(2) ?
C2114' C2115' H2116 . . . 123(3) ?
C2114' C2115' H2115' . . . 117(3) ?
C2116' C2115' H2115 . . . 170(3) ?
C2116' C2115' H2116 . . . 61(2) ?
C2116' C2115' H2115' . . . 116(3) ?
H2115 C2115' H2116 . . . 110(2) ?
H2115 C2115' H2115' . . . 65.5(17) ?
H2116 C2115' H2115' . . . 103(2) ?
C2111 C2116' C2116 . . . 74(2) ?
C2111 C2116' C2115' . . . 107(2) ?
C2111 C2116' H2116 . . . 104(2) ?
C2111 C2116' H2116' . . . 118(3) ?
C2116 C2116' C2115' . . . 42(2) ?
C2116 C2116' H2116 . . . 44.7(19) ?
C2116 C2116' H2116' . . . 158(4) ?
C2115' C2116' H2116 . . . 57.1(18) ?
C2115' C2116' H2116' . . . 135(3) ?
H2116 C2116' H2116' . . . 114(3) ?
P21 C2121 C2122 . . . 143(2) ?
P21 C2121 C2126 . . . 114.5(19) ?
P21 C2121 C2122' . . . 109.5(19) ?
P21 C2121 C2126' . . . 123(3) ?
C2122 C2121 C2126 . . . 95(2) ?
C2122 C2121 C2122' . . . 53(2) ?
C2122 C2121 C2126' . . . 77(3) ?
C2126 C2121 C2122' . . . 134(2) ?
C2126 C2121 C2126' . . . 24(2) ?
C2122' C2121 C2126' . . . 126(3) ?
C2121 C2122 C2123 . . . 142(3) ?
C2121 C2122 C2122' . . . 67(3) ?
C2121 C2122 C2123' . . . 107(3) ?
C2121 C2122 C2124' . . . 102(3) ?
C2121 C2122 C2126' . . . 39.9(17) ?
C2121 C2122 H2122 . . . 110(3) ?
C2123 C2122 C2122' . . . 124(4) ?
C2123 C2122 C2123' . . . 66(3) ?
C2123 C2122 C2124' . . . 43(2) ?
C2123 C2122 C2126' . . . 108(3) ?
C2123 C2122 H2122 . . . 109(4) ?
C2122' C2122 C2123' . . . 59(3) ?
C2122' C2122 C2124' . . . 99(3) ?
C2122' C2122 C2126' . . . 104(3) ?
C2122' C2122 H2122 . . . 75(3) ?
C2123' C2122 C2124' . . . 50(2) ?
C2123' C2122 C2126' . . . 119(3) ?
C2123' C2122 H2122 . . . 99(3) ?
C2124' C2122 C2126' . . . 83(3) ?
C2124' C2122 H2122 . . . 142(4) ?
C2126' C2122 H2122 . . . 135(4) ?
C2122 C2123 C2124 . . . 112(4) ?
C2122 C2123 C2123' . . . 59(3) ?
C2122 C2123 C2124' . . . 82(3) ?
C2122 C2123 H2123 . . . 125(4) ?
C2122 C2123 H2124' . . . 124(3) ?
C2124 C2123 C2123' . . . 124(4) ?
C2124 C2123 C2124' . . . 67(3) ?
C2124 C2123 H2123 . . . 123(4) ?
C2124 C2123 H2124' . . . 58(2) ?
C2123' C2123 C2124' . . . 57(3) ?
C2123' C2123 H2123 . . . 92(3) ?
C2123' C2123 H2124' . . . 81(2) ?
C2124' C2123 H2123 . . . 123(4) ?
C2124' C2123 H2124' . . . 42(2) ?
H2123 C2123 H2124' . . . 92(3) ?
C2123 C2124 C2125 . . . 118(4) ?
C2123 C2124 C2124' . . . 50(3) ?
C2123 C2124 C2125' . . . 96(3) ?
C2123 C2124 H2124 . . . 124(4) ?
C2123 C2124 H2124' . . . 61(2) ?
C2125 C2124 C2124' . . . 91(4) ?
C2125 C2124 C2125' . . . 36(3) ?
C2125 C2124 H2124 . . . 118(4) ?
C2125 C2124 H2124' . . . 122(3) ?
C2124' C2124 C2125' . . . 57(3) ?
C2124' C2124 H2124 . . . 121(4) ?
C2124' C2124 H2124' . . . 39.9(19) ?
C2125' C2124 H2124 . . . 125(4) ?
C2125' C2124 H2124' . . . 87(2) ?
H2124 C2124 H2124' . . . 83(3) ?
C2124 C2125 C2126 . . . 132(4) ?
C2124 C2125 C2124' . . . 50(3) ?
C2124 C2125 C2125' . . . 93(5) ?
C2124 C2125 C2126' . . . 110(4) ?
C2124 C2125 H2125 . . . 114(4) ?
C2124 C2125 H2125' . . . 113(4) ?
C2126 C2125 C2124' . . . 87(3) ?
C2126 C2125 C2125' . . . 57(4) ?
C2126 C2125 C2126' . . . 26(2) ?
C2126 C2125 H2125 . . . 112(4) ?
C2126 C2125 H2125' . . . 81(3) ?
C2124' C2125 C2125' . . . 46(4) ?
C2124' C2125 C2126' . . . 74(2) ?
C2124' C2125 H2125 . . . 160(4) ?
C2124' C2125 H2125' . . . 88(3) ?
C2125' C2125 C2126' . . . 63(4) ?
C2125' C2125 H2125 . . . 142(6) ?
C2125' C2125 H2125' . . . 53(3) ?
C2126' C2125 H2125 . . . 125(3) ?
C2126' C2125 H2125' . . . 103(3) ?
H2125 C2125 H2125' . . . 91(3) ?
C2121 C2126 C2125 . . . 116(3) ?
C2121 C2126 C2125' . . . 103(3) ?
C2121 C2126 C2126' . . . 33(3) ?
C2121 C2126 H2126 . . . 122(3) ?
C2121 C2126 H2126' . . . 73(2) ?
C2125 C2126 C2125' . . . 34(3) ?
C2125 C2126 C2126' . . . 91(4) ?
C2125 C2126 H2126 . . . 121(3) ?
C2125 C2126 H2126' . . . 92(3) ?
C2125' C2126 C2126' . . . 93(5) ?
C2125' C2126 H2126 . . . 118(4) ?
C2125' C2126 H2126' . . . 119(3) ?
C2126' C2126 H2126 . . . 147(5) ?
C2126' C2126 H2126' . . . 50(3) ?
H2126 C2126 H2126' . . . 114(3) ?
C2121 C2122' C2122 . . . 60(2) ?
C2121 C2122' C2123' . . . 106(3) ?
C2121 C2122' H2122 . . . 84(2) ?
C2121 C2122' H2122' . . . 129(4) ?
C2122 C2122' C2123' . . . 64(3) ?
C2122 C2122' H2122 . . . 39(2) ?
C2122 C2122' H2122' . . . 143(4) ?
C2123' C2122' H2122 . . . 82(3) ?
C2123' C2122' H2122' . . . 125(4) ?
H2122 C2122' H2122' . . . 104(3) ?
C2122 C2123' C2123 . . . 55(2) ?
C2122 C2123' C2122' . . . 57(3) ?
C2122 C2123' C2124' . . . 74(3) ?
C2122 C2123' H2123' . . . 139(4) ?
C2123 C2123' C2122' . . . 111(3) ?
C2123 C2123' C2124' . . . 47(3) ?
C2123 C2123' H2123' . . . 104(4) ?
C2122' C2123' C2124' . . . 117(4) ?
C2122' C2123' H2123' . . . 123(4) ?
C2124' C2123' H2123' . . . 120(4) ?
C2122 C2124' C2123 . . . 55(3) ?
C2122 C2124' C2124 . . . 95(3) ?
C2122 C2124' C2125 . . . 87(2) ?
C2122 C2124' C2123' . . . 56(2) ?
C2122 C2124' C2125' . . . 92(3) ?
C2122 C2124' H2124' . . . 135(4) ?
C2123 C2124' C2124 . . . 63(3) ?
C2123 C2124' C2125 . . . 89(3) ?
C2123 C2124' C2123' . . . 76(4) ?
C2123 C2124' C2125' . . . 113(4) ?
C2123 C2124' H2124' . . . 81(3) ?
C2124 C2124' C2125 . . . 39(2) ?
C2124 C2124' C2123' . . . 139(4) ?
C2124 C2124' C2125' . . . 64(3) ?
C2124 C2124' H2124' . . . 65(3) ?
C2125 C2124' C2123' . . . 143(3) ?
C2125 C2124' C2125' . . . 27(2) ?
C2125 C2124' H2124' . . . 97(3) ?
C2123' C2124' C2125' . . . 136(4) ?
C2123' C2124' H2124' . . . 113(4) ?
C2125' C2124' H2124' . . . 111(4) ?
C2124 C2125' C2125 . . . 51(4) ?
C2124 C2125' C2126 . . . 126(4) ?
C2124 C2125' C2124' . . . 59(3) ?
C2124 C2125' C2126' . . . 104(3) ?
C2124 C2125' H2125' . . . 101(4) ?
C2125 C2125' C2126 . . . 90(4) ?
C2125 C2125' C2124' . . . 108(5) ?
C2125 C2125' C2126' . . . 88(4) ?
C2125 C2125' H2125' . . . 77(4) ?
C2126 C2125' C2124' . . . 123(4) ?
C2126 C2125' C2126' . . . 30(2) ?
C2126 C2125' H2125' . . . 104(4) ?
C2124' C2125' C2126' . . . 95(3) ?
C2124' C2125' H2125' . . . 133(4) ?
C2126' C2125' H2125' . . . 132(4) ?
C2121 C2126' C2122 . . . 63(3) ?
C2121 C2126' C2125 . . . 146(3) ?
C2121 C2126' C2126 . . . 123(5) ?
C2121 C2126' C2125' . . . 121(3) ?
C2121 C2126' H2126' . . . 120(3) ?
C2122 C2126' C2125 . . . 93(3) ?
C2122 C2126' C2126 . . . 144(5) ?
C2122 C2126' C2125' . . . 89(3) ?
C2122 C2126' H2126' . . . 119(3) ?
C2125 C2126' C2126 . . . 63(4) ?
C2125 C2126' C2125' . . . 30(2) ?
C2125 C2126' H2126' . . . 92(3) ?
C2126 C2126' C2125' . . . 57(4) ?
C2126 C2126' H2126' . . . 90(4) ?
C2125' C2126' H2126' . . . 120(3) ?
P21 C211 C211' . . . 70.3(16) ?
P21 C211 C221 . . . 103.3(14) ?
P21 C211 H211a . . . 113(2) ?
P21 C211 H211b . . . 111.6(19) ?
P21 C211 H221'a . . . 131.7(18) ?
C211' C211 C221 . . . 57.3(17) ?
C211' C211 H211a . . . 165(3) ?
C211' C211 H211b . . . 78(2) ?
C211' C211 H221'a . . . 96(2) ?
C221 C211 H211a . . . 108(2) ?
C221 C211 H211b . . . 107(2) ?
C221 C211 H221'a . . . 40.3(10) ?
H211a C211 H211b . . . 113(2) ?
H211a C211 H221'a . . . 70.7(16) ?
H211b C211 H221'a . . . 110(2) ?
P21 C211' C211 . . . 68.3(16) ?
P21 C211' C221 . . . 106.0(18) ?
P21 C211' H211b . . . 89.0(14) ?
P21 C211' H211'a . . . 112(2) ?
P21 C211' H211'b . . . 107(2) ?
P21 C211' H221a . . . 136(2) ?
C211 C211' C221 . . . 64.3(17) ?
C211 C211' H211b . . . 38.0(12) ?
C211 C211' H211'a . . . 84(2) ?
C211 C211' H211'b . . . 169(3) ?
C211 C211' H221a . . . 107(2) ?
C221 C211' H211b . . . 86.4(16) ?
C221 C211' H211'a . . . 115(2) ?
C221 C211' H211'b . . . 109(3) ?
C221 C211' H221a . . . 44.2(13) ?
H211b C211' H211'a . . . 46.2(13) ?
H211b C211' H211'b . . . 153(3) ?
H211b C211' H221a . . . 114(2) ?
H211'a C211' H211'b . . . 107(3) ?
H211'a C211' H221a . . . 110(3) ?
H211'b C211' H221a . . . 68.6(18) ?
C211 C221 C211' . . . 58.3(17) ?
C211 C221 P22 . . . 116.2(13) ?
C211 C221 H221a . . . 107.8(15) ?
C211 C221 H221b . . . 108.2(15) ?
C211 C221 H221'a . . . 48.7(12) ?
C211 C221 H221'b . . . 135.5(16) ?
C211' C221 P22 . . . 116.2(14) ?
C211' C221 H221a . . . 51.2(14) ?
C211' C221 H221b . . . 136.0(18) ?
C211' C221 H221'a . . . 105.4(18) ?
C211' C221 H221'b . . . 108.9(17) ?
P22 C221 H221a . . . 106.5(10) ?
P22 C221 H221b . . . 107.3(11) ?
P22 C221 H221'a . . . 107.5(12) ?
P22 C221 H221'b . . . 107.5(12) ?
H221a C221 H221b . . . 110.8(15) ?
H221a C221 H221'a . . . 145.0(17) ?
H221a C221 H221'b . . . 64.6(10) ?
H221b C221 H221'a . . . 65.7(8) ?
H221b C221 H221'b . . . 48.3(7) ?
H221'a C221 H221'b . . . 111.4(12) ?
Pt2 P22 C221 . . . 105.7(5) ?
Pt2 P22 C2211 . . . 120.6(5) ?
Pt2 P22 C2221 . . . 113.6(4) ?
C221 P22 C2211 . . . 103.9(6) ?
C221 P22 C2221 . . . 105.6(7) ?
C2211 P22 C2221 . . . 106.1(7) ?
P22 C2211 C2212 . . . 119.6(10) ?
P22 C2211 C2216 . . . 121.7(11) ?
C2212 C2211 C2216 . . . 118.7(13) ?
C2211 C2212 C2213 . . . 120.8(14) ?
C2211 C2212 H2212 . . . 121.7(15) ?
C2213 C2212 H2212 . . . 117.4(15) ?
C2212 C2213 C2214 . . . 120.0(16) ?
C2212 C2213 H2213 . . . 125.6(16) ?
C2214 C2213 H2213 . . . 114.3(16) ?
C2213 C2214 C2215 . . . 119.5(17) ?
C2213 C2214 H2214 . . . 122.4(18) ?
C2215 C2214 H2214 . . . 118.0(17) ?
C2214 C2215 C2216 . . . 119.2(16) ?
C2214 C2215 H2215 . . . 120.5(17) ?
C2216 C2215 H2215 . . . 120.3(18) ?
C2211 C2216 C2215 . . . 121.4(16) ?
C2211 C2216 H2216 . . . 119.4(15) ?
C2215 C2216 H2216 . . . 118.9(15) ?
P22 C2221 C2222 . . . 120.1(11) ?
P22 C2221 C2226 . . . 126.3(13) ?
C2222 C2221 C2226 . . . 113.6(16) ?
C2221 C2222 C2223 . . . 119.3(16) ?
C2221 C2222 H2222 . . . 121.8(17) ?
C2223 C2222 H2222 . . . 118.8(17) ?
C2222 C2223 C2224 . . . 122.6(19) ?
C2222 C2223 H2223 . . . 113.7(18) ?
C2224 C2223 H2223 . . . 124(2) ?
C2223 C2224 C2225 . . . 110(2) ?
C2223 C2224 H2224 . . . 119(2) ?
C2225 C2224 H2224 . . . 131(2) ?
C2224 C2225 C2226 . . . 128(2) ?
C2224 C2225 H2225 . . . 107(2) ?
C2226 C2225 H2225 . . . 120(3) ?
C2221 C2226 C2225 . . . 124(2) ?
C2221 C2226 H2226 . . . 123(2) ?
C2225 C2226 H2226 . . . 113(2) ?
Pt2 C21 C22 . . . 176.4(13) ?
C21 C22 C23 . . . 178.4(16) ?
C22 C23 C24 . . . 178.8(16) ?
Pt3 C24 C23 . . . 177.1(12) ?
Pt3 P31 C311 . . . 107.0(4) ?
Pt3 P31 C3111 . . . 122.6(4) ?
Pt3 P31 C3121 . . . 111.5(5) ?
C311 P31 C3111 . . . 107.0(6) ?
C311 P31 C3121 . . . 103.3(6) ?
C3111 P31 C3121 . . . 103.7(6) ?
P31 C311 C321 . . . 108.6(10) ?
P31 C311 H311a . . . 110.4(10) ?
P31 C311 H311b . . . 112.6(10) ?
C321 C311 H311a . . . 108.5(11) ?
C321 C311 H311b . . . 111.9(12) ?
H311a C311 H311b . . . 104.7(14) ?
P31 C3111 C3112 . . . 117.5(9) ?
P31 C3111 C3116 . . . 120.8(10) ?
C3112 C3111 C3116 . . . 121.7(12) ?
C3111 C3112 C3113 . . . 115.9(13) ?
C3111 C3112 H3112 . . . 122.7(13) ?
C3113 C3112 H3112 . . . 121.4(14) ?
C3112 C3113 C3114 . . . 122.7(14) ?
C3112 C3113 H3113 . . . 116.4(14) ?
C3114 C3113 H3113 . . . 120.7(14) ?
C3113 C3114 C3115 . . . 119.8(14) ?
C3113 C3114 H3114 . . . 114.9(15) ?
C3115 C3114 H3114 . . . 125.3(14) ?
C3114 C3115 C3116 . . . 119.4(14) ?
C3114 C3115 H3115 . . . 117.5(14) ?
C3116 C3115 H3115 . . . 123.1(15) ?
C3111 C3116 C3115 . . . 120.5(14) ?
C3111 C3116 H3116 . . . 120.2(13) ?
C3115 C3116 H3116 . . . 119.2(13) ?
P31 C3121 C3122 . . . 118.6(10) ?
P31 C3121 C3126 . . . 123.0(11) ?
C3122 C3121 C3126 . . . 118.2(13) ?
C3121 C3122 C3123 . . . 118.1(14) ?
C3121 C3122 H3122 . . . 122.3(14) ?
C3123 C3122 H3122 . . . 119.6(15) ?
C3122 C3123 C3124 . . . 121.9(16) ?
C3122 C3123 H3123 . . . 113.5(18) ?
C3124 C3123 H3123 . . . 124.6(18) ?
C3123 C3124 C3125 . . . 118.9(17) ?
C3123 C3124 H3124 . . . 111.4(18) ?
C3125 C3124 H3124 . . . 129.7(19) ?
C3124 C3125 C3126 . . . 122.3(17) ?
C3124 C3125 H3125 . . . 113.8(17) ?
C3126 C3125 H3125 . . . 123.9(18) ?
C3121 C3126 C3125 . . . 120.5(15) ?
C3121 C3126 H3126 . . . 119.3(15) ?
C3125 C3126 H3126 . . . 120.3(17) ?
Pt3 P32 C321 . . . 108.3(5) ?
Pt3 P32 C3211 . . . 111.6(4) ?
Pt3 P32 C3221 . . . 119.9(6) ?
C321 P32 C3211 . . . 104.9(7) ?
C321 P32 C3221 . . . 106.2(7) ?
C3211 P32 C3221 . . . 104.9(7) ?
C311 C321 P32 . . . 109.7(10) ?
C311 C321 H321a . . . 111.4(14) ?
C311 C321 H321b . . . 107.9(13) ?
P32 C321 H321a . . . 110.1(12) ?
P32 C321 H321b . . . 110.0(12) ?
H321a C321 H321b . . . 107.6(14) ?
P32 C3211 C3212 . . . 120.8(11) ?
P32 C3211 C3216 . . . 119.7(11) ?
C3212 C3211 C3216 . . . 119.2(14) ?
C3211 C3212 C3213 . . . 122.5(16) ?
C3211 C3212 H3212 . . . 121.9(16) ?
C3213 C3212 H3212 . . . 115.5(16) ?
C3212 C3213 C3214 . . . 121.0(18) ?
C3212 C3213 H3213 . . . 125.8(19) ?
C3214 C3213 H3213 . . . 113.2(18) ?
C3213 C3214 C3215 . . . 118.9(18) ?
C3213 C3214 H3214 . . . 128(2) ?
C3215 C3214 H3214 . . . 113(2) ?
C3214 C3215 C3216 . . . 119.0(18) ?
C3214 C3215 H3215 . . . 122(2) ?
C3216 C3215 H3215 . . . 119(2) ?
C3211 C3216 C3215 . . . 118.8(17) ?
C3211 C3216 H3216 . . . 123.4(16) ?
C3215 C3216 H3216 . . . 117.4(18) ?
P32 C3221 C3222 . . . 120.9(13) ?
P32 C3221 C3226 . . . 123.2(18) ?
C3222 C3221 C3226 . . . 115(2) ?
C3221 C3222 C3223 . . . 116.4(19) ?
C3221 C3222 H3222 . . . 118(2) ?
C3223 C3222 H3222 . . . 125(2) ?
C3222 C3223 C3224 . . . 113(2) ?
C3222 C3223 H3223 . . . 118(2) ?
C3224 C3223 H3223 . . . 129(2) ?
C3223 C3224 C3225 . . . 120(3) ?
C3223 C3224 H3224 . . . 109(2) ?
C3225 C3224 H3224 . . . 128(3) ?
C3224 C3225 C3226 . . . 122(3) ?
C3224 C3225 H3225 . . . 104(3) ?
C3226 C3225 H3225 . . . 124(3) ?
C3221 C3226 C3225 . . . 126(2) ?
C3221 C3226 H3226 . . . 124(3) ?
C3225 C3226 H3226 . . . 110(2) ?
Pt3 C31 C32 . . . 169.1(13) ?
C31 C32 C33 . . . 177.6(16) ?
C32 C33 C34 . . . 178.2(14) ?
Pt4 C34 C33 . . . 173.5(12) ?
Pt4 P41 C411 . . . 103.9(6) ?
Pt4 P41 C4111 . . . 117.6(5) ?
Pt4 P41 C4121 . . . 119.2(4) ?
C411 P41 C4111 . . . 106.3(7) ?
C411 P41 C4121 . . . 104.2(7) ?
C4111 P41 C4121 . . . 104.3(6) ?
P41 C411 C421 . . . 109.8(12) ?
P41 C411 H411a . . . 109.7(13) ?
P41 C411 H411b . . . 107.8(13) ?
C421 C411 H411a . . . 116.1(17) ?
C421 C411 H411b . . . 111.5(15) ?
H411a C411 H411b . . . 101.4(16) ?
P41 C4111 C4112 . . . 122.7(12) ?
P41 C4111 C4116 . . . 114.6(12) ?
P41 C4111 C4112' . . . 104.2(12) ?
P41 C4111 C4116' . . . 131.5(15) ?
C4112 C4111 C4116 . . . 119.4(15) ?
C4112 C4111 C4112' . . . 30.6(17) ?
C4112 C4111 C4116' . . . 105.7(17) ?
C4116 C4111 C4112' . . . 140.8(16) ?
C4116 C4111 C4116' . . . 26.1(14) ?
C4112' C4111 C4116' . . . 117.8(15) ?
C4111 C4112 C4113 . . . 120.3(17) ?
C4111 C4112 C4112' . . . 89(3) ?
C4111 C4112 C4113' . . . 129(2) ?
C4111 C4112 H4112 . . . 120(2) ?
C4111 C4112 H4112' . . . 97.3(15) ?
C4113 C4112 C4112' . . . 125(3) ?
C4113 C4112 C4113' . . . 54(2) ?
C4113 C4112 H4112 . . . 119(2) ?
C4113 C4112 H4112' . . . 133(2) ?
C4112' C4112 C4113' . . . 71(3) ?
C4112' C4112 H4112 . . . 65(2) ?
C4112' C4112 H4112' . . . 22.7(17) ?
C4113' C4112 H4112 . . . 93(2) ?
C4113' C4112 H4112' . . . 81(2) ?
H4112 C4112 H4112' . . . 42.7(9) ?
C4112 C4113 C4114 . . . 121(2) ?
C4112 C4113 C4112' . . . 18.8(12) ?
C4112 C4113 C4113' . . . 68(2) ?
C4112 C4113 C4114' . . . 109(3) ?
C4112 C4113 C4115' . . . 97.2(18) ?
C4112 C4113 H4113 . . . 119(2) ?
C4114 C4113 C4112' . . . 129(2) ?
C4114 C4113 C4113' . . . 134(3) ?
C4114 C4113 C4114' . . . 75(2) ?
C4114 C4113 C4115' . . . 38.2(16) ?
C4114 C4113 H4113 . . . 120(2) ?
C4112' C4113 C4113' . . . 50(2) ?
C4112' C4113 C4114' . . . 94(3) ?
C4112' C4113 C4115' . . . 96.7(17) ?
C4112' C4113 H4113 . . . 106.3(18) ?
C4113' C4113 C4114' . . . 60(2) ?
C4113' C4113 C4115' . . . 99(2) ?
C4113' C4113 H4113 . . . 66(2) ?
C4114' C4113 C4115' . . . 50.9(18) ?
C4114' C4113 H4113 . . . 81(2) ?
C4115' C4113 H4113 . . . 128(2) ?
C4113 C4114 C4115 . . . 121(2) ?
C4113 C4114 C4114' . . . 55.6(17) ?
C4113 C4114 C4115' . . . 99(2) ?
C4113 C4114 H4114 . . . 124(2) ?
C4115 C4114 C4114' . . . 113(3) ?
C4115 C4114 C4115' . . . 54(2) ?
C4115 C4114 H4114 . . . 115(2) ?
C4114' C4114 C4115' . . . 60(2) ?
C4114' C4114 H4114 . . . 105(2) ?
C4115' C4114 H4114 . . . 117(3) ?
C4114 C4115 C4116 . . . 119(2) ?
C4114 C4115 C4115' . . . 56(2) ?
C4114 C4115 C4116' . . . 107(2) ?
C4114 C4115 H4115 . . . 124(3) ?
C4114 C4115 H4115' . . . 88(2) ?
C4116 C4115 C4115' . . . 100(3) ?
C4116 C4115 C4116' . . . 26.1(15) ?
C4116 C4115 H4115 . . . 116(3) ?
C4116 C4115 H4115' . . . 119(2) ?
C4115' C4115 C4116' . . . 74(3) ?
C4115' C4115 H4115 . . . 108(3) ?
C4115' C4115 H4115' . . . 50.5(17) ?
C4116' C4115 H4115 . . . 120(3) ?
C4116' C4115 H4115' . . . 98(2) ?
H4115 C4115 H4115' . . . 57.9(13) ?
C4111 C4116 C4115 . . . 118(2) ?
C4111 C4116 C4115' . . . 93.6(15) ?
C4111 C4116 C4116' . . . 79(3) ?
C4111 C4116 H4116 . . . 122(2) ?
C4111 C4116 H4116' . . . 146(2) ?
C4115 C4116 C4115' . . . 35.1(17) ?
C4115 C4116 C4116' . . . 64(4) ?
C4115 C4116 H4116 . . . 119(2) ?
C4115 C4116 H4116' . . . 91(2) ?
C4115' C4116 C4116' . . . 30(4) ?
C4115' C4116 H4116 . . . 134(2) ?
C4115' C4116 H4116' . . . 103(2) ?
C4116' C4116 H4116 . . . 123(4) ?
C4116' C4116 H4116' . . . 100(4) ?
H4116 C4116 H4116' . . . 31.2(8) ?
C4111 C4112' C4112 . . . 61(2) ?
C4111 C4112' C4113 . . . 85.3(14) ?
C4111 C4112' C4113' . . . 120(2) ?
C4111 C4112' H4112 . . . 105(2) ?
C4111 C4112' H4112' . . . 126(3) ?
C4112 C4112' C4113 . . . 36(2) ?
C4112 C4112' C4113' . . . 80(3) ?
C4112 C4112' H4112 . . . 66(3) ?
C4112 C4112' H4112' . . . 136(4) ?
C4113 C4112' C4113' . . . 44(2) ?
C4113 C4112' H4112 . . . 82(2) ?
C4113 C4112' H4112' . . . 142(3) ?
C4113' C4112' H4112 . . . 98(3) ?
C4113' C4112' H4112' . . . 114(3) ?
H4112 C4112' H4112' . . . 70.6(15) ?
C4112 C4113' C4113 . . . 57.2(16) ?
C4112 C4113' C4112' . . . 28.9(15) ?
C4112 C4113' C4114' . . . 102(2) ?
C4112 C4113' H4113 . . . 89(2) ?
C4112 C4113' H4113' . . . 139(4) ?
C4113 C4113' C4112' . . . 86(2) ?
C4113 C4113' C4114' . . . 62(3) ?
C4113 C4113' H4113 . . . 40.1(17) ?
C4113 C4113' H4113' . . . 111(5) ?
C4112' C4113' C4114' . . . 119(3) ?
C4112' C4113' H4113 . . . 117(3) ?
C4112' C4113' H4113' . . . 136(3) ?
C4114' C4113' H4113 . . . 70(3) ?
C4114' C4113' H4113' . . . 105(4) ?
H4113 C4113' H4113' . . . 71(4) ?
C4113 C4114' C4114 . . . 49.7(17) ?
C4113 C4114' C4113' . . . 58(2) ?
C4113 C4114' C4115' . . . 81(2) ?
C4113 C4114' H4114' . . . 136(5) ?
C4114 C4114' C4113' . . . 107(3) ?
C4114 C4114' C4115' . . . 43.7(18) ?
C4114 C4114' H4114' . . . 104(4) ?
C4113' C4114' C4115' . . . 120(3) ?
C4113' C4114' H4114' . . . 138(3) ?
C4115' C4114' H4114' . . . 102(3) ?
C4113 C4115' C4114 . . . 43.2(16) ?
C4113 C4115' C4115 . . . 95(2) ?
C4113 C4115' C4116 . . . 89.0(15) ?
C4113 C4115' C4114' . . . 47.8(18) ?
C4113 C4115' C4116' . . . 91.5(18) ?
C4113 C4115' H4115' . . . 156(3) ?
C4114 C4115' C4115 . . . 70(3) ?
C4114 C4115' C4116 . . . 95(2) ?
C4114 C4115' C4114' . . . 76(3) ?
C4114 C4115' C4116' . . . 105(3) ?
C4114 C4115' H4115' . . . 113(3) ?
C4115 C4115' C4116 . . . 45(2) ?
C4115 C4115' C4114' . . . 143(3) ?
C4115 C4115' C4116' . . . 57(2) ?
C4115 C4115' H4115' . . . 77(2) ?
C4116 C4115' C4114' . . . 125(2) ?
C4116 C4115' C4116' . . . 12.5(14) ?
C4116 C4115' H4115' . . . 101(2) ?
C4114' C4115' C4116' . . . 120(3) ?
C4114' C4115' H4115' . . . 133(3) ?
C4116' C4115' H4115' . . . 103(3) ?
C4111 C4116' C4115 . . . 127(3) ?
C4111 C4116' C4116 . . . 74(3) ?
C4111 C4116' C4115' . . . 119(2) ?
C4111 C4116' H4116 . . . 94.3(17) ?
C4111 C4116' H4116' . . . 112(2) ?
C4115 C4116' C4116 . . . 89(4) ?
C4115 C4116' C4115' . . . 49(2) ?
C4115 C4116' H4116 . . . 101(2) ?
C4115 C4116' H4116' . . . 87(2) ?
C4116 C4116' C4115' . . . 137(5) ?
C4116 C4116' H4116 . . . 35(3) ?
C4116 C4116' H4116' . . . 45(3) ?
C4115' C4116' H4116 . . . 144(2) ?
C4115' C4116' H4116' . . . 126(3) ?
H4116 C4116' H4116' . . . 18.3(5) ?
P41 C4121 C4122 . . . 117.9(11) ?
P41 C4121 C4126 . . . 121.9(11) ?
C4122 C4121 C4126 . . . 120.1(14) ?
C4121 C4122 C4123 . . . 120.5(15) ?
C4121 C4122 H4122 . . . 121.2(15) ?
C4123 C4122 H4122 . . . 118.3(15) ?
C4122 C4123 C4124 . . . 120.2(16) ?
C4122 C4123 H4123 . . . 116.6(17) ?
C4124 C4123 H4123 . . . 123.2(18) ?
C4123 C4124 C4125 . . . 119.6(17) ?
C4123 C4124 H4124 . . . 111(2) ?
C4125 C4124 H4124 . . . 129(2) ?
C4124 C4125 C4126 . . . 124.7(17) ?
C4124 C4125 H4125 . . . 114.5(18) ?
C4126 C4125 H4125 . . . 120.8(17) ?
C4121 C4126 C4125 . . . 114.5(14) ?
C4121 C4126 H4126 . . . 124.0(18) ?
C4125 C4126 H4126 . . . 121.4(17) ?
Pt4 P42 C421 . . . 108.1(5) ?
Pt4 P42 C4211 . . . 114.0(4) ?
Pt4 P42 C4221 . . . 117.3(5) ?
C421 P42 C4211 . . . 103.3(7) ?
C421 P42 C4221 . . . 104.7(6) ?
C4211 P42 C4221 . . . 108.1(6) ?
C411 C421 P42 . . . 110.3(10) ?
C411 C421 H421a . . . 108.8(13) ?
C411 C421 H421b . . . 104.8(14) ?
P42 C421 H421a . . . 112.1(12) ?
P42 C421 H421b . . . 111.4(10) ?
H421a C421 H421b . . . 109.2(13) ?
P42 C4211 C4212 . . . 120.3(12) ?
P42 C4211 C4216 . . . 126.0(11) ?
C4212 C4211 C4216 . . . 113.5(14) ?
C4211 C4212 C4213 . . . 122.6(17) ?
C4211 C4212 H4212 . . . 117.7(16) ?
C4213 C4212 H4212 . . . 119.7(18) ?
C4212 C4213 C4214 . . . 117.8(18) ?
C4212 C4213 H4213 . . . 117(2) ?
C4214 C4213 H4213 . . . 124.8(19) ?
C4213 C4214 C4215 . . . 121.2(18) ?
C4213 C4214 H4214 . . . 117.9(18) ?
C4215 C4214 H4214 . . . 121(2) ?
C4214 C4215 C4216 . . . 122.1(18) ?
C4214 C4215 H4215 . . . 120.9(18) ?
C4216 C4215 H4215 . . . 117.0(16) ?
C4211 C4216 C4215 . . . 122.4(14) ?
C4211 C4216 H4216 . . . 118.6(15) ?
C4215 C4216 H4216 . . . 118.9(16) ?
P42 C4221 C4222 . . . 119.4(10) ?
P42 C4221 C4226 . . . 121.7(10) ?
C4222 C4221 C4226 . . . 118.9(12) ?
C4221 C4222 C4223 . . . 119.7(12) ?
C4221 C4222 H4222 . . . 121.9(13) ?
C4223 C4222 H4222 . . . 118.3(13) ?
C4222 C4223 C4224 . . . 121.2(14) ?
C4222 C4223 H4223 . . . 120.9(14) ?
C4224 C4223 H4223 . . . 117.8(15) ?
C4223 C4224 C4225 . . . 119.6(15) ?
C4223 C4224 H4224 . . . 121.4(15) ?
C4225 C4224 H4224 . . . 119.0(15) ?
C4224 C4225 C4226 . . . 119.5(14) ?
C4224 C4225 H4225 . . . 119.8(15) ?
C4226 C4225 H4225 . . . 120.7(15) ?
C4221 C4226 C4225 . . . 121.1(13) ?
C4221 C4226 H4226 . . . 119.6(14) ?
C4225 C4226 H4226 . . . 119.3(14) ?
Pt4 C41 C42 . . . 177.8(12) ?
C41 C42 C43 . . . 176.8(14) ?
C42 C43 C44 . . . 179.3(14) ?
Pt1 C44 C43 . . . 174.6(12) ?
S1 C101 H101a . . . 112(2) ?
S1 C101 H101b . . . 110(2) ?
S1 C101 H101c . . . 110(2) ?
H101a C101 H101b . . . 109(2) ?
H101a C101 H101c . . . 110(3) ?
H101b C101 H101c . . . 107(2) ?
S1 C102 H102a . . . 113(2) ?
S1 C102 H102b . . . 109.6(17) ?
S1 C102 H102c . . . 110(2) ?
H102a C102 H102b . . . 109(3) ?
H102a C102 H102c . . . 110(2) ?
H102b C102 H102c . . . 105(2) ?
C101 S1 C102 . . . 98.3(13) ?
C101 S1 O1 . . . 110.8(11) ?
C102 S1 O1 . . . 109.0(12) ?
S2 C201 H201a . . . 109(3) ?
S2 C201 H201b . . . 98(2) ?
S2 C201 H201c . . . 107(3) ?
H201a C201 H201b . . . 108(4) ?
H201a C201 H201c . . . 126(4) ?
H201b C201 H201c . . . 104(3) ?
S2 C202 H202a . . . 108(3) ?
S2 C202 H202b . . . 102(3) ?
S2 C202 H202c . . . 107(4) ?
H202a C202 H202b . . . 113(5) ?
H202a C202 H202c . . . 118(5) ?
H202b C202 H202c . . . 107(3) ?
C201 S2 C202 . . . 109(2) ?
C201 S2 O2 . . . 106.6(16) ?
C202 S2 O2 . . . 118(2) ?
S3 C301 S3' . . . 34.6(12) ?
S3 C301 H301a . . . 95(3) ?
S3 C301 H301b . . . 107(3) ?
S3 C301 H301c . . . 115(3) ?
S3 C301 H301'a . . . 135(3) ?
S3 C301 H301'b . . . 109(3) ?
S3 C301 H301'c . . . 66(2) ?
S3' C301 H301a . . . 113(3) ?
S3' C301 H301b . . . 125(3) ?
S3' C301 H301c . . . 81(3) ?
S3' C301 H301'a . . . 117(3) ?
S3' C301 H301'b . . . 108(3) ?
S3' C301 H301'c . . . 101(3) ?
H301a C301 H301b . . . 105(3) ?
H301a C301 H301c . . . 107(3) ?
H301a C301 H301'a . . . 128(4) ?
H301a C301 H301'b . . . 30.9(10) ?
H301a C301 H301'c . . . 68(2) ?
H301b C301 H301c . . . 124(5) ?
H301b C301 H301'a . . . 55(3) ?
H301b C301 H301'b . . . 124(4) ?
H301b C301 H301'c . . . 59(2) ?
H301c C301 H301'a . . . 69(3) ?
H301c C301 H301'b . . . 76(2) ?
H301c C301 H301'c . . . 174(4) ?
H301'a C301 H301'b . . . 115(4) ?
H301'a C301 H301'c . . . 114(4) ?
H301'b C301 H301'c . . . 99(3) ?
S3 C302 S3' . . . 40.2(15) ?
S3 C302 H302a . . . 123(3) ?
S3 C302 H302b . . . 119(3) ?
S3 C302 H302c . . . 111(3) ?
S3 C302 H302'a . . . 139(3) ?
S3 C302 H302'b . . . 78(3) ?
S3 C302 H302'c . . . 127(3) ?
S3' C302 H302a . . . 83(3) ?
S3' C302 H302b . . . 132(3) ?
S3' C302 H302c . . . 128(3) ?
S3' C302 H302'a . . . 117(3) ?
S3' C302 H302'b . . . 118(3) ?
S3' C302 H302'c . . . 120(3) ?
H302a C302 H302b . . . 103(3) ?
H302a C302 H302c . . . 97(3) ?
H302a C302 H302'a . . . 61(2) ?
H302a C302 H302'b . . . 159(4) ?
H302a C302 H302'c . . . 67(2) ?
H302b C302 H302c . . . 99(3) ?
H302b C302 H302'a . . . 42.0(15) ?
H302b C302 H302'b . . . 66(3) ?
H302b C302 H302'c . . . 106(3) ?
H302c C302 H302'a . . . 109(3) ?
H302c C302 H302'b . . . 69(3) ?
H302c C302 H302'c . . . 30.7(11) ?
H302'a C302 H302'b . . . 107(4) ?
H302'a C302 H302'c . . . 93(3) ?
H302'b C302 H302'c . . . 99(3) ?
C301 S3 C302 . . . 103(2) ?
C301 S3 S3' . . . 61(2) ?
C301 S3 O3 . . . 94(2) ?
C301 S3 H302'b . . . 118.9(17) ?
C302 S3 S3' . . . 66(2) ?
C302 S3 O3 . . . 106(2) ?
C302 S3 H302'b . . . 32.6(15) ?
S3' S3 O3 . . . 62.2(15) ?
S3' S3 H302'b . . . 99(2) ?
O3 S3 H302'b . . . 128(2) ?
C301 S3' C302 . . . 118(2) ?
C301 S3' S3 . . . 85(2) ?
C301 S3' O3 . . . 110.9(15) ?
C302 S3' S3 . . . 73(2) ?
C302 S3' O3 . . . 117.8(18) ?
S3 S3' O3 . . . 75.4(16) ?
S3 O3 S3' . . . 42.3(12) ?
S4 C401 S4' . . . 40.3(10) ?
S4 C401 H401a . . . 108(2) ?
S4 C401 H401b . . . 107(2) ?
S4 C401 H401c . . . 112(2) ?
S4 C401 H401'a . . . 131(2) ?
S4 C401 H401'b . . . 118(2) ?
S4 C401 H401'c . . . 69.3(16) ?
S4' C401 H401a . . . 116(2) ?
S4' C401 H401b . . . 133(2) ?
S4' C401 H401c . . . 73.3(18) ?
S4' C401 H401'a . . . 115(2) ?
S4' C401 H401'b . . . 110(2) ?
S4' C401 H401'c . . . 109(2) ?
H401a C401 H401b . . . 105(3) ?
H401a C401 H401c . . . 113(3) ?
H401a C401 H401'a . . . 120(3) ?
H401a C401 H401'b . . . 20.8(5) ?
H401a C401 H401'c . . . 85(2) ?
H401b C401 H401c . . . 110(3) ?
H401b C401 H401'a . . . 53.8(13) ?
H401b C401 H401'b . . . 116(3) ?
H401b C401 H401'c . . . 52.2(15) ?
H401c C401 H401'a . . . 56.9(16) ?
H401c C401 H401'b . . . 92(3) ?
H401c C401 H401'c . . . 159(3) ?
H401'a C401 H401'b . . . 111(3) ?
H401'a C401 H401'c . . . 106(2) ?
H401'b C401 H401'c . . . 105(3) ?
S4 C402 S4' . . . 43.9(11) ?
S4 C402 H402a . . . 114(2) ?
S4 C402 H402b . . . 114(2) ?
S4 C402 H402c . . . 112(2) ?
S4 C402 H402'a . . . 131(2) ?
S4 C402 H402'b . . . 125(2) ?
S4 C402 H402'c . . . 70.6(17) ?
S4' C402 H402a . . . 126(2) ?
S4' C402 H402b . . . 70(2) ?
S4' C402 H402c . . . 129(2) ?
S4' C402 H402'a . . . 112(2) ?
S4' C402 H402'b . . . 113(2) ?
S4' C402 H402'c . . . 114(2) ?
H402a C402 H402b . . . 108(3) ?
H402a C402 H402c . . . 104(3) ?
H402a C402 H402'a . . . 35.2(9) ?
H402a C402 H402'b . . . 116(3) ?
H402a C402 H402'c . . . 73(2) ?
H402b C402 H402c . . . 104(3) ?
H402b C402 H402'a . . . 72(2) ?
H402b C402 H402'b . . . 69(2) ?
H402b C402 H402'c . . . 174(3) ?
H402c C402 H402'a . . . 114(3) ?
H402c C402 H402'b . . . 35.7(9) ?
H402c C402 H402'c . . . 70(2) ?
H402'a C402 H402'b . . . 103(2) ?
H402'a C402 H402'c . . . 108(3) ?
H402'b C402 H402'c . . . 105(3) ?
C401 S4 C402 . . . 105.3(15) ?
C401 S4 S4' . . . 70.5(14) ?
C401 S4 O4 . . . 110.3(14) ?
C401 S4 H401'c . . . 34.7(10) ?
C401 S4 H402'c . . . 119.3(10) ?
C402 S4 S4' . . . 72.4(17) ?
C402 S4 O4 . . . 105.1(15) ?
C402 S4 H401'c . . . 113.6(11) ?
C402 S4 H402'c . . . 36.0(13) ?
S4' S4 O4 . . . 61.7(12) ?
S4' S4 H401'c . . . 105.1(12) ?
S4' S4 H402'c . . . 108.4(12) ?
O4 S4 H401'c . . . 132.7(11) ?
O4 S4 H402'c . . . 122.1(11) ?
H401'c S4 H402'c . . . 105.1(6) ?
C401 S4' C402 . . . 100.5(16) ?
C401 S4' S4 . . . 69.1(15) ?
C401 S4' O4 . . . 115.1(16) ?
C401 S4' H402b . . . 111.5(13) ?
C402 S4' S4 . . . 63.7(15) ?
C402 S4' O4 . . . 105.6(17) ?
C402 S4' H402b . . . 34.5(12) ?
S4 S4' O4 . . . 71.5(13) ?
S4 S4' H402b . . . 98.0(13) ?
O4 S4' H402b . . . 123.4(14) ?
S4 O4 S4' . . . 46.8(10) ?
S5 C501 H501a . . . 106(3) ?
S5 C501 H501b . . . 112(3) ?
S5 C501 H501c . . . 110(3) ?
H501a C501 H501b . . . 111(3) ?
H501a C501 H501c . . . 104(4) ?
H501b C501 H501c . . . 113(4) ?
S5 C502 H502a . . . 105(2) ?
S5 C502 H502b . . . 101(2) ?
S5 C502 H502c . . . 106.4(19) ?
H502a C502 H502b . . . 114(2) ?
H502a C502 H502c . . . 117(3) ?
H502b C502 H502c . . . 111(3) ?
C501 S5 C502 . . . 111.9(17) ?
C501 S5 O5 . . . 114(2) ?
C502 S5 O5 . . . 116.7(14) ?
C2112 H2112 C2112' . . . 19(2) ?
C2112 H2112 H2112' . . . 42.4(16) ?
C2112' H2112 H2112' . . . 30.9(13) ?
C2113 H2113 H2113' . . . 21.7(18) ?
C2115 H2115 C2114' . . . 24(2) ?
C2115 H2115 C2115' . . . 59(2) ?
C2114' H2115 C2115' . . . 59.8(18) ?
C2116 H2116 C2115' . . . 45(2) ?
C2116 H2116 C2116' . . . 52(2) ?
C2115' H2116 C2116' . . . 62.1(19) ?
C2112 H2112' C2112' . . . 31(3) ?
C2112 H2112' H2112 . . . 110(2) ?
C2112' H2112' H2112 . . . 131(2) ?
C2113 H2113' C2114 . . . 96(5) ?
C2113 H2113' C2113' . . . 50(5) ?
C2113 H2113' H2113 . . . 97(5) ?
C2114 H2113' C2113' . . . 55(3) ?
C2114 H2113' H2113 . . . 141.9(15) ?
C2113' H2113' H2113 . . . 146(2) ?
C2114 H2114' C2115 . . . 81(2) ?
C2114 H2114' C2114' . . . 59(2) ?
C2115 H2114' C2114' . . . 31(2) ?
C211 H211b C211' . . . 64.4(19) ?
C211' H221a C221 . . . 84.6(18) ?
C221 H221b H221'b . . . 66.1(9) ?
C211 H221'a C221 . . . 91.0(16) ?
C221 H221'b H221b . . . 65.6(8) ?
C2122 H2122 C2122' . . . 66(3) ?
C2123 H2124' C2124 . . . 61(2) ?
C2123 H2124' C2124' . . . 57(3) ?
C2124 H2124' C2124' . . . 75(3) ?
C2125 H2125' C2125' . . . 50(4) ?
C2126 H2126' C2126' . . . 40(3) ?
C4112 H4112 C4112' . . . 49(2) ?
C4113 H4113 C4113' . . . 73.8(19) ?
C4116 H4116 C4116' . . . 22.1(18) ?
C4116 H4116 H4116' . . . 55.5(14) ?
C4116' H4116 H4116' . . . 43.6(11) ?
C4112 H4112' C4112' . . . 21(2) ?
C4115 H4115' C4115' . . . 52(2) ?
C4116 H4116' C4116' . . . 34(2) ?
C4116 H4116' H4116 . . . 93.3(16) ?
C4116' H4116' H4116 . . . 118.0(15) ?
C301 H301a H301'b . . . 70.5(17) ?
C301 H301b H301'a . . . 58(2) ?
C301 H301b H301'c . . . 67(2) ?
H301'a H301b H301'c . . . 125.2707(14) ?
C301 H301c H301'a . . . 53(3) ?
C301 H301'a H301b . . . 67(2) ?
C301 H301'a H301c . . . 58(2) ?
H301b H301'a H301c . . . 125.266(3) ?
C301 H301'b H301a . . . 79(2) ?
C301 H301'c H301b . . . 53(2) ?
C302 H302b H302'a . . . 72(2) ?
C302 H302c H302'c . . . 78(2) ?
C302 H302'a H302b . . . 66(2) ?
C302 H302'b S3 . . . 70(2) ?
C302 H302'c H302c . . . 72(2) ?
C401 H401a H401'b . . . 76.3(18) ?
C401 H401b H401'a . . . 60.1(16) ?
C401 H401b H401'c . . . 64.8(17) ?
H401'a H401b H401'c . . . 124.4627(14) ?
C401 H401c H401'a . . . 64.1(16) ?
C401 H401'a H401b . . . 66.1(18) ?
C401 H401'a H401c . . . 59.0(18) ?
H401b H401'a H401c . . . 124.774(2) ?
C401 H401'b H401a . . . 82.9(18) ?
C401 H401'c S4 . . . 76.0(16) ?
C401 H401'c H401b . . . 63.0(14) ?
S4 H401'c H401b . . . 119.7(4) ?
C402 H402a H402'a . . . 73(2) ?
C402 H402b S4' . . . 75.3(18) ?
C402 H402c H402'b . . . 72(2) ?
C402 H402'a H402a . . . 72(2) ?
C402 H402'b H402c . . . 72(2) ?
C402 H402'c S4 . . . 73.4(17) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Pt1 P11 . . 2.279(4) ?
Pt1 P12 . . 2.278(4) ?
Pt1 C11 . . 1.945(15) ?
Pt1 C44 . . 1.990(13) ?
Pt2 C14 . . 1.990(15) ?
Pt2 P21 . . 2.256(4) ?
Pt2 P22 . . 2.271(4) ?
Pt2 C21 . . 1.994(15) ?
Pt3 C24 . . 1.976(13) ?
Pt3 P31 . . 2.285(4) ?
Pt3 P32 . . 2.282(4) ?
Pt3 C31 . . 2.025(13) ?
Pt4 C34 . . 1.998(13) ?
Pt4 P41 . . 2.274(4) ?
Pt4 P42 . . 2.279(4) ?
Pt4 C41 . . 1.979(13) ?
P11 C111 . . 1.815(14) ?
P11 C1111 . . 1.818(12) ?
P11 C1121 . . 1.800(12) ?
C111 C121 . . 1.516(18) ?
C111 H111a . . .964(12) ?
C111 H111b . . .970(13) ?
C1111 C1112 . . 1.359(19) ?
C1111 C1116 . . 1.359(19) ?
C1112 C1113 . . 1.39(2) ?
C1112 H1112 . . .968(14) ?
C1113 C1114 . . 1.38(2) ?
C1113 H1113 . . .989(16) ?
C1114 C1115 . . 1.40(2) ?
C1114 H1114 . . .990(15) ?
C1115 C1116 . . 1.36(2) ?
C1115 H1115 . . .968(18) ?
C1116 H1116 . . .975(14) ?
C1121 C1122 . . 1.36(2) ?
C1121 C1126 . . 1.356(18) ?
C1122 C1123 . . 1.40(2) ?
C1122 H1122 . . .996(14) ?
C1123 C1124 . . 1.35(2) ?
C1123 H1123 . . 1.005(15) ?
C1124 C1125 . . 1.35(2) ?
C1124 H1124 . . .995(13) ?
C1125 C1126 . . 1.40(2) ?
C1125 H1125 . . .978(14) ?
C1126 H1126 . . .974(15) ?
P12 C121 . . 1.847(13) ?
P12 C1211 . . 1.807(13) ?
P12 C1221 . . 1.826(13) ?
C121 H121a . . .992(14) ?
C121 H121b . . .956(14) ?
C1211 C1212 . . 1.30(2) ?
C1211 C1216 . . 1.39(2) ?
C1212 C1213 . . 1.41(2) ?
C1212 H1212 . . .964(17) ?
C1213 C1214 . . 1.36(3) ?
C1213 H1213 . . 1.000(16) ?
C1214 C1215 . . 1.44(2) ?
C1214 H1214 . . .982(17) ?
C1215 C1216 . . 1.37(2) ?
C1215 H1215 . . .934(19) ?
C1216 H1216 . . .972(17) ?
C1221 C1222 . . 1.30(2) ?
C1221 C1226 . . 1.37(3) ?
C1222 C1223 . . 1.36(2) ?
C1222 H1222 . . 1.007(19) ?
C1223 C1224 . . 1.30(3) ?
C1223 H1223 . . .972(19) ?
C1224 C1225 . . 1.29(3) ?
C1224 H1224 . . .966(15) ?
C1225 C1226 . . 1.45(3) ?
C1225 H1225 . . .97(2) ?
C1226 H1226 . . .992(18) ?
C11 C12 . . 1.22(2) ?
C12 C13 . . 1.40(2) ?
C13 C14 . . 1.24(2) ?
P21 C2111 . . 1.765(18) ?
P21 C2121 . . 1.75(2) ?
P21 C211 . . 1.93(2) ?
P21 C211' . . 1.95(3) ?
C2111 C2112 . . 1.58(4) ?
C2111 C2116 . . 1.50(3) ?
C2111 C2112' . . 1.14(4) ?
C2111 C2116' . . 1.38(3) ?
C2112 C2113 . . 1.40(5) ?
C2112 C2112' . . .46(4) ?
C2112 C2113' . . 1.40(5) ?
C2112 H2112 . . 1.12(3) ?
C2112 H2112' . . .80(3) ?
C2113 C2114 . . 1.41(5) ?
C2113 C2112' . . 1.74(5) ?
C2113 C2113' . . .73(5) ?
C2113 C2114' . . 1.89(5) ?
C2113 H2113 . . 1.01(3) ?
C2113 H2113' . . .37(3) ?
C2114 C2115 . . 1.39(4) ?
C2114 C2113' . . 1.09(5) ?
C2114 C2114' . . 1.10(5) ?
C2114 H2114 . . .85(3) ?
C2114 H2113' . . 1.32(3) ?
C2114 H2114' . . 1.06(3) ?
C2115 C2116 . . 1.46(4) ?
C2115 C2113' . . 1.63(4) ?
C2115 C2114' . . .62(4) ?
C2115 C2115' . . 1.20(4) ?
C2115 H2115 . . .96(3) ?
C2115 H2114' . . 1.08(3) ?
C2116 C2114' . . 1.62(5) ?
C2116 C2115' . . .92(4) ?
C2116 C2116' . . 1.08(4) ?
C2116 H2116 . . .97(3) ?
C2112' C2113' . . 1.55(5) ?
C2112' H2112 . . 1.34(3) ?
C2112' H2112' . . .91(3) ?
C2113' C2114' . . 1.24(5) ?
C2113' H2113' . . .91(3) ?
C2114' C2115' . . 1.36(4) ?
C2114' H2115 . . 1.36(3) ?
C2114' H2114' . . 1.18(3) ?
C2115' C2116' . . 1.38(4) ?
C2115' H2115 . . 1.36(3) ?
C2115' H2116 . . 1.31(3) ?
C2115' H2115' . . .99(3) ?
C2116' H2116 . . 1.37(3) ?
C2116' H2116' . . .90(3) ?
C2121 C2122 . . 1.49(4) ?
C2121 C2126 . . 1.64(4) ?
C2121 C2122' . . 1.58(5) ?
C2121 C2126' . . 1.07(4) ?
C2122 C2123 . . 1.41(6) ?
C2122 C2122' . . 1.38(5) ?
C2122 C2123' . . 1.48(5) ?
C2122 C2124' . . 1.71(5) ?
C2122 C2126' . . 1.63(5) ?
C2122 H2122 . . .95(4) ?
C2123 C2124 . . 1.39(6) ?
C2123 C2123' . . 1.57(6) ?
C2123 C2124' . . 1.19(6) ?
C2123 H2123 . . .97(4) ?
C2123 H2124' . . 1.40(4) ?
C2124 C2125 . . 1.18(6) ?
C2124 C2124' . . 1.43(5) ?
C2124 C2125' . . 1.51(6) ?
C2124 H2124 . . .95(3) ?
C2124 H2124' . . 1.34(4) ?
C2125 C2126 . . 1.59(6) ?
C2125 C2124' . . 1.87(6) ?
C2125 C2125' . . .88(6) ?
C2125 C2126' . . 1.79(5) ?
C2125 H2125 . . 1.00(4) ?
C2125 H2125' . . 1.13(4) ?
C2126 C2125' . . 1.34(6) ?
C2126 C2126' . . .79(5) ?
C2126 H2126 . . 1.00(4) ?
C2126 H2126' . . 1.23(4) ?
C2122' C2123' . . 1.41(6) ?
C2122' H2122 . . 1.45(4) ?
C2122' H2122' . . .95(4) ?
C2123' C2124' . . 1.36(6) ?
C2123' H2123' . . .94(4) ?
C2124' C2125' . . 1.41(6) ?
C2124' H2124' . . .95(4) ?
C2125' C2126' . . 1.59(5) ?
C2125' H2125' . . .93(4) ?
C2126' H2126' . . .95(3) ?
C211 C211' . . 1.37(4) ?
C211 C221 . . 1.45(3) ?
C211 H211a . . .92(2) ?
C211 H211b . . .94(2) ?
C211 H221'a . . 1.09(2) ?
C211' C221 . . 1.36(3) ?
C211' H211b . . 1.49(3) ?
C211' H211'a . . .91(3) ?
C211' H211'b . . 1.02(3) ?
C211' H221a . . 1.06(3) ?
C221 P22 . . 1.823(15) ?
C221 H221a . . .952(15) ?
C221 H221b . . .932(12) ?
C221 H221'a . . .942(14) ?
C221 H221'b . . .937(15) ?
P22 C2211 . . 1.832(14) ?
P22 C2221 . . 1.798(14) ?
C2211 C2212 . . 1.38(2) ?
C2211 C2216 . . 1.36(2) ?
C2212 C2213 . . 1.36(2) ?
C2212 H2212 . . .971(15) ?
C2213 C2214 . . 1.39(2) ?
C2213 H2213 . . .971(18) ?
C2214 C2215 . . 1.37(3) ?
C2214 H2214 . . .982(19) ?
C2215 C2216 . . 1.38(2) ?
C2215 H2215 . . .987(16) ?
C2216 H2216 . . .997(17) ?
C2221 C2222 . . 1.36(2) ?
C2221 C2226 . . 1.28(2) ?
C2222 C2223 . . 1.48(3) ?
C2222 H2222 . . 1.004(17) ?
C2223 C2224 . . 1.36(3) ?
C2223 H2223 . . 1.02(2) ?
C2224 C2225 . . 1.24(4) ?
C2224 H2224 . . .95(2) ?
C2225 C2226 . . 1.40(3) ?
C2225 H2225 . . 1.01(2) ?
C2226 H2226 . . .95(2) ?
C21 C22 . . 1.23(2) ?
C22 C23 . . 1.39(2) ?
C23 C24 . . 1.198(18) ?
P31 C311 . . 1.813(14) ?
P31 C3111 . . 1.830(12) ?
P31 C3121 . . 1.789(13) ?
C311 C321 . . 1.52(2) ?
C311 H311a . . .999(14) ?
C311 H311b . . .960(13) ?
C3111 C3112 . . 1.36(2) ?
C3111 C3116 . . 1.364(18) ?
C3112 C3113 . . 1.40(2) ?
C3112 H3112 . . .993(14) ?
C3113 C3114 . . 1.34(2) ?
C3113 H3113 . . 1.006(15) ?
C3114 C3115 . . 1.35(2) ?
C3114 H3114 . . 1.001(15) ?
C3115 C3116 . . 1.37(2) ?
C3115 H3115 . . .963(15) ?
C3116 H3116 . . .990(15) ?
C3121 C3122 . . 1.39(2) ?
C3121 C3126 . . 1.39(2) ?
C3122 C3123 . . 1.44(2) ?
C3122 H3122 . . 1.029(16) ?
C3123 C3124 . . 1.31(3) ?
C3123 H3123 . . 1.042(17) ?
C3124 C3125 . . 1.37(3) ?
C3124 H3124 . . .991(19) ?
C3125 C3126 . . 1.35(2) ?
C3125 H3125 . . .967(19) ?
C3126 H3126 . . .917(16) ?
P32 C321 . . 1.860(16) ?
P32 C3211 . . 1.817(13) ?
P32 C3221 . . 1.809(16) ?
C321 H321a . . .961(15) ?
C321 H321b . . .962(15) ?
C3211 C3212 . . 1.28(2) ?
C3211 C3216 . . 1.35(2) ?
C3212 C3213 . . 1.39(2) ?
C3212 H3212 . . .965(17) ?
C3213 C3214 . . 1.28(3) ?
C3213 H3213 . . .974(19) ?
C3214 C3215 . . 1.38(3) ?
C3214 H3214 . . .990(19) ?
C3215 C3216 . . 1.42(3) ?
C3215 H3215 . . 1.00(2) ?
C3216 H3216 . . .98(2) ?
C3221 C3222 . . 1.40(3) ?
C3221 C3226 . . 1.16(3) ?
C3222 C3223 . . 1.49(3) ?
C3222 H3222 . . 1.00(2) ?
C3223 C3224 . . 1.40(3) ?
C3223 H3223 . . 1.00(2) ?
C3224 C3225 . . 1.08(4) ?
C3224 H3224 . . 1.05(3) ?
C3225 C3226 . . 1.35(4) ?
C3225 H3225 . . 1.03(3) ?
C3226 H3226 . . 1.01(2) ?
C31 C32 . . 1.18(2) ?
C32 C33 . . 1.44(2) ?
C33 C34 . . 1.18(2) ?
P41 C411 . . 1.883(19) ?
P41 C4111 . . 1.785(13) ?
P41 C4121 . . 1.830(14) ?
C411 C421 . . 1.45(2) ?
C411 H411a . . .980(17) ?
C411 H411b . . 1.024(19) ?
C4111 C4112 . . 1.32(3) ?
C4111 C4116 . . 1.39(3) ?
C4111 C4112' . . 1.51(3) ?
C4111 C4116' . . 1.42(3) ?
C4112 C4113 . . 1.42(3) ?
C4112 C4112' . . .77(4) ?
C4112 C4113' . . 1.57(4) ?
C4112 H4112 . . .934(18) ?
C4112 H4112' . . 1.48(2) ?
C4113 C4114 . . 1.31(3) ?
C4113 C4112' . . 1.96(4) ?
C4113 C4113' . . 1.37(5) ?
C4113 C4114' . . 1.42(4) ?
C4113 C4115' . . 1.90(4) ?
C4113 H4113 . . .92(2) ?
C4114 C4115 . . 1.35(4) ?
C4114 C4114' . . 1.66(4) ?
C4114 C4115' . . 1.18(4) ?
C4114 H4114 . . .94(2) ?
C4115 C4116 . . 1.44(4) ?
C4115 C4115' . . 1.17(5) ?
C4115 C4116' . . 1.30(5) ?
C4115 H4115 . . .99(3) ?
C4115 H4115' . . 1.43(3) ?
C4116 C4115' . . 2.00(4) ?
C4116 C4116' . . .63(3) ?
C4116 H4116 . . .97(2) ?
C4116 H4116' . . .80(2) ?
C4112' C4113' . . 1.50(5) ?
C4112' H4112 . . .92(3) ?
C4112' H4112' . . .82(2) ?
C4113' C4114' . . 1.41(5) ?
C4113' H4113 . . 1.31(6) ?
C4113' H4113' . . .83(4) ?
C4114' C4115' . . 1.49(4) ?
C4114' H4114' . . .98(4) ?
C4115' C4116' . . 1.49(4) ?
C4115' H4115' . . 1.13(3) ?
C4116' H4116 . . 1.42(3) ?
C4116' H4116' . . 1.11(3) ?
C4121 C4122 . . 1.32(2) ?
C4121 C4126 . . 1.42(2) ?
C4122 C4123 . . 1.38(2) ?
C4122 H4122 . . .954(15) ?
C4123 C4124 . . 1.35(3) ?
C4123 H4123 . . .957(18) ?
C4124 C4125 . . 1.26(3) ?
C4124 H4124 . . .941(18) ?
C4125 C4126 . . 1.41(3) ?
C4125 H4125 . . .957(18) ?
C4126 H4126 . . .905(16) ?
P42 C421 . . 1.814(15) ?
P42 C4211 . . 1.777(14) ?
P42 C4221 . . 1.810(13) ?
C421 H421a . . .946(12) ?
C421 H421b . . .957(13) ?
C4211 C4212 . . 1.39(2) ?
C4211 C4216 . . 1.35(2) ?
C4212 C4213 . . 1.45(3) ?
C4212 H4212 . . .965(19) ?
C4213 C4214 . . 1.33(3) ?
C4213 H4213 . . .94(2) ?
C4214 C4215 . . 1.26(3) ?
C4214 H4214 . . .954(18) ?
C4215 C4216 . . 1.44(2) ?
C4215 H4215 . . .967(18) ?
C4216 H4216 . . 1.003(15) ?
C4221 C4222 . . 1.347(19) ?
C4221 C4226 . . 1.40(2) ?
C4222 C4223 . . 1.40(2) ?
C4222 H4222 . . .977(12) ?
C4223 C4224 . . 1.39(2) ?
C4223 H4223 . . .989(16) ?
C4224 C4225 . . 1.34(2) ?
C4224 H4224 . . .959(16) ?
C4225 C4226 . . 1.40(2) ?
C4225 H4225 . . .982(15) ?
C4226 H4226 . . .979(14) ?
C41 C42 . . 1.187(18) ?
C42 C43 . . 1.437(18) ?
C43 C44 . . 1.196(18) ?
C101 S1 . . 1.67(3) ?
C101 H101a . . .93(2) ?
C101 H101b . . .97(3) ?
C101 H101c . . .96(3) ?
C102 S1 . . 1.68(3) ?
C102 H102a . . .92(3) ?
C102 H102b . . .98(3) ?
C102 H102c . . .98(2) ?
S1 O1 . . 1.460(16) ?
C201 S2 . . 1.80(4) ?
C201 H201a . . .85(4) ?
C201 H201b . . 1.06(4) ?
C201 H201c . . .90(4) ?
C202 S2 . . 1.68(3) ?
C202 H202a . . .87(4) ?
C202 H202b . . .99(5) ?
C202 H202c . . .94(5) ?
S2 O2 . . 1.466(18) ?
C301 S3 . . 1.89(5) ?
C301 S3' . . 1.66(4) ?
C301 H301a . . 1.06(4) ?
C301 H301b . . .89(4) ?
C301 H301c . . .87(3) ?
C301 H301'a . . .82(4) ?
C301 H301'b . . 1.02(3) ?
C301 H301'c . . 1.02(3) ?
C302 S3 . . 1.60(5) ?
C302 S3' . . 1.53(4) ?
C302 H302a . . 1.01(4) ?
C302 H302b . . .97(4) ?
C302 H302c . . 1.06(4) ?
C302 H302'a . . 1.01(4) ?
C302 H302'b . . .92(4) ?
C302 H302'c . . 1.10(4) ?
S3 S3' . . 1.08(3) ?
S3 O3 . . 1.55(3) ?
S3 H302'b . . 1.67(3) ?
S3' O3 . . 1.42(2) ?
C401 S4 . . 1.72(3) ?
C401 S4' . . 1.73(3) ?
C401 H401a . . .96(3) ?
C401 H401b . . .99(3) ?
C401 H401c . . .90(3) ?
C401 H401'a . . .94(3) ?
C401 H401'b . . .94(3) ?
C401 H401'c . . 1.01(3) ?
C402 S4 . . 1.54(3) ?
C402 S4' . . 1.63(3) ?
C402 H402a . . .96(3) ?
C402 H402b . . .96(3) ?
C402 H402c . . 1.00(3) ?
C402 H402'a . . .97(3) ?
C402 H402'b . . 1.01(3) ?
C402 H402'c . . .94(3) ?
S4 S4' . . 1.19(2) ?
S4 O4 . . 1.55(2) ?
S4 H401'c . . 1.655(13) ?
S4 H402'c . . 1.513(11) ?
S4' O4 . . 1.44(2) ?
S4' H402b . . 1.590(18) ?
C501 S5 . . 1.49(4) ?
C501 H501a . . .99(3) ?
C501 H501b . . .89(4) ?
C501 H501c . . .96(3) ?
C502 S5 . . 1.76(3) ?
C502 H502a . . .89(3) ?
C502 H502b . . .96(3) ?
C502 H502c . . .93(2) ?
S5 O5 . . 1.20(2) ?
H2112 H2112' . . .55663(3) ?
H2113 H2113' . . .89317(5) ?
H221b H221'b . . .76467(3) ?
H4116 H4116' . . .504945(17) ?
H301a H301'b . . .55581(2) ?
H301b H301'a . . .79245(3) ?
H301b H301'c . . .95262(3) ?
H301c H301'a . . .95245(4) ?
H302b H302'a . . .71042(3) ?
H302c H302'c . . .57186(2) ?
H401a H401'b . . .344364(15) ?
H401b H401'a . . .87485(4) ?
H401b H401'c . . .87843(4) ?
H401c H401'a . . .87578(3) ?
H402a H402'a . . .58551(3) ?
H402c H402'b . . .61632(3) ?
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
Pt1 C111 3.323(13) . . ?
Pt1 C1111 3.380(12) . . ?
Pt1 C1112 3.517(12) . . ?
Pt1 C1121 3.578(12) . . ?
Pt1 C1122 4.050(13) . . ?
Pt1 C121 3.343(13) . . ?
Pt1 C1211 3.543(13) . . ?
Pt1 C1212 3.744(16) . . ?
Pt1 C1221 3.413(13) . . ?
Pt1 C1222 3.803(16) . . ?
Pt1 C1224 3.851(16) . '3 566' ?
Pt1 C12 3.163(13) . . ?
Pt1 C43 3.182(13) . . ?
Pt1 H1112 3.0238(5) . . ?
Pt1 H111b 3.6097(6) . . ?
Pt1 H121b 3.6764(7) . . ?
Pt1 H1212 3.1745(6) . . ?
Pt1 H1222 3.4414(5) . . ?
Pt1 H1224 3.2300(6) . '3 566' ?
Pt2 C13 3.224(15) . . ?
Pt2 C2111 3.466(15) . . ?
Pt2 C2112' 3.86(3) . . ?
Pt2 C2121 3.48(2) . . ?
Pt2 C2126 3.64(4) . . ?
Pt2 C2126' 3.64(3) . . ?
Pt2 C211 3.31(2) . . ?
Pt2 C211' 3.35(3) . . ?
Pt2 C221 3.275(14) . . ?
Pt2 C2211 3.571(13) . . ?
Pt2 C2212 3.781(16) . . ?
Pt2 C2221 3.414(14) . . ?
Pt2 C2222 3.633(18) . . ?
Pt2 C22 3.218(15) . . ?
Pt2 S2 4.290(10) . . ?
Pt2 H211a 3.4859(6) . . ?
Pt2 H211'b 3.5630(6) . . ?
Pt2 H221a 3.6120(6) . . ?
Pt2 H221'a 3.5151(6) . . ?
Pt2 H2126 3.3128(6) . . ?
Pt2 H2126' 3.2837(6) . . ?
Pt2 H2212 3.2650(6) . . ?
Pt2 H2222 3.1735(6) . . ?
Pt2 H202c 3.7495(6) . . ?
Pt2 H402c 3.1679(6) . . ?
Pt2 H402'b 3.3965(6) . . ?
Pt3 C23 3.174(13) . . ?
Pt3 C311 3.307(14) . . ?
Pt3 C3111 3.617(12) . . ?
Pt3 C3112 4.027(13) . . ?
Pt3 C3121 3.379(12) . . ?
Pt3 C3122 3.506(15) . . ?
Pt3 C321 3.366(15) . . ?
Pt3 C3211 3.400(13) . . ?
Pt3 C3212 3.469(16) . . ?
Pt3 C3221 3.549(16) . . ?
Pt3 C32 3.192(15) . . ?
Pt3 H3112 3.7420(6) . . ?
Pt3 H3122 2.9551(6) . . ?
Pt3 H311a 3.5244(6) . . ?
Pt3 H321b 3.7175(7) . . ?
Pt3 H3212 2.8806(6) . . ?
Pt3 H3213 3.7230(6) . '3 665' ?
Pt4 C33 3.170(15) . . ?
Pt4 C411 3.283(18) . . ?
Pt4 C4111 3.481(13) . . ?
Pt4 C4112 3.67(2) . . ?
Pt4 C4112' 3.33(2) . . ?
Pt4 C4121 3.546(13) . . ?
Pt4 C4122 4.086(15) . . ?
Pt4 C421 3.324(13) . . ?
Pt4 C4211 3.413(14) . . ?
Pt4 C4212 3.610(18) . . ?
Pt4 C4221 3.501(12) . . ?
Pt4 C4222 3.655(13) . . ?
Pt4 C42 3.165(13) . . ?
Pt4 C102 3.91(2) . . ?
Pt4 H4112 3.1224(6) . . ?
Pt4 H4112' 2.8030(6) . . ?
Pt4 H411b 3.5108(6) . . ?
Pt4 H421b 3.6354(6) . . ?
Pt4 H4212 3.0449(6) . . ?
Pt4 H4222 3.1221(6) . . ?
Pt4 H102c 3.0071(6) . . ?
Pt4 H302b 3.7684(6) . . ?
Pt4 H302'a 3.5904(6) . . ?
P11 C1112 2.733(14) . . ?
P11 C1116 2.799(14) . . ?
P11 C1122 2.730(14) . . ?
P11 C1126 2.793(14) . . ?
P11 P12 3.084(5) . . ?
P11 C121 2.723(13) . . ?
P11 C11 3.101(15) . . ?
P11 H1112 2.832(4) . . ?
P11 H1122 2.860(4) . . ?
P11 H111a 2.351(4) . . ?
P11 H111b 2.351(4) . . ?
C111 C1111 2.860(18) . . ?
C111 C1121 2.874(18) . . ?
C111 P12 2.746(13) . . ?
C111 H1126 2.658(13) . . ?
C111 H121a 2.091(13) . . ?
C111 H121b 2.067(13) . . ?
C1111 C1113 2.40(2) . . ?
C1111 C1114 2.75(2) . . ?
C1111 C1115 2.37(2) . . ?
C1111 C1121 2.876(16) . . ?
C1111 H1112 2.043(13) . . ?
C1111 H1116 2.040(13) . . ?
C1112 C1114 2.37(2) . . ?
C1112 C1115 2.74(2) . . ?
C1112 C1116 2.34(2) . . ?
C1112 H1113 2.085(13) . . ?
C1113 C1115 2.41(2) . . ?
C1113 C1116 2.75(2) . . ?
C1113 H1112 2.016(16) . . ?
C1113 H1114 2.046(16) . . ?
C1114 C1116 2.38(2) . . ?
C1114 H1113 2.065(18) . . ?
C1114 H1115 2.017(18) . . ?
C1115 H1114 2.085(16) . . ?
C1115 H1116 2.007(15) . . ?
C1116 H1115 2.074(13) . . ?
C1121 C1123 2.41(2) . . ?
C1121 C1124 2.778(18) . . ?
C1121 C1125 2.407(18) . . ?
C1121 H1122 2.074(13) . . ?
C1121 H1126 2.048(12) . . ?
C1122 C1124 2.370(19) . . ?
C1122 C1125 2.72(2) . . ?
C1122 C1126 2.32(2) . . ?
C1122 H1123 2.118(14) . . ?
C1123 C1125 2.34(2) . . ?
C1123 C1126 2.72(2) . . ?
C1123 H1122 2.038(15) . . ?
C1123 H1124 2.052(15) . . ?
C1124 C1126 2.38(2) . . ?
C1124 H1123 2.023(14) . . ?
C1124 H1125 2.009(15) . . ?
C1125 H1124 2.019(16) . . ?
C1125 H1126 2.031(16) . . ?
C1126 H1125 2.092(13) . . ?
P12 C1212 2.723(14) . . ?
P12 C1216 2.760(18) . . ?
P12 C1222 2.729(16) . . ?
P12 C1226 2.80(2) . . ?
P12 C44 3.130(14) . . ?
P12 H121a 2.361(4) . . ?
P12 H121b 2.359(4) . . ?
P12 H1212 2.786(4) . . ?
P12 H1216 2.853(4) . . ?
P12 H1222 2.822(4) . . ?
C121 C1211 2.918(19) . . ?
C121 C1221 2.949(18) . . ?
C121 H111a 2.044(13) . . ?
C121 H111b 2.040(15) . . ?
C121 H1226 2.628(14) . . ?
C1211 C1213 2.37(2) . . ?
C1211 C1214 2.76(2) . . ?
C1211 C1215 2.42(2) . . ?
C1211 C1221 2.855(19) . . ?
C1211 H1212 1.948(13) . . ?
C1211 H1216 2.062(13) . . ?
C1212 C1214 2.39(2) . . ?
C1212 C1215 2.78(3) . . ?
C1212 C1216 2.33(2) . . ?
C1212 H1213 2.081(14) . . ?
C1213 C1215 2.43(3) . . ?
C1213 C1216 2.73(2) . . ?
C1213 H1212 2.07(2) . . ?
C1213 H1214 2.02(2) . . ?
C1214 C1216 2.38(2) . . ?
C1214 H1213 2.071(18) . . ?
C1214 H1215 2.018(18) . . ?
C1215 H1214 2.125(17) . . ?
C1215 H1216 1.998(17) . . ?
C1216 H1215 2.088(17) . . ?
C1221 C1223 2.33(2) . . ?
C1221 C1224 2.75(2) . . ?
C1221 C1225 2.42(3) . . ?
C1221 H1222 2.004(13) . . ?
C1221 H1226 2.058(13) . . ?
C1222 C1224 2.34(2) . . ?
C1222 C1225 2.67(3) . . ?
C1222 C1226 2.29(3) . . ?
C1222 H1223 2.030(16) . . ?
C1223 C1225 2.23(3) . . ?
C1223 C1226 2.66(3) . . ?
C1223 H1222 2.04(2) . . ?
C1223 H1224 1.96(2) . . ?
C1224 C1226 2.38(2) . . ?
C1224 H1223 1.948(18) . . ?
C1224 H1225 1.966(17) . . ?
C1225 H1224 1.98(2) . . ?
C1225 H1226 2.15(2) . . ?
C1226 H1225 2.10(2) . . ?
C11 C13 2.62(2) . . ?
C11 C44 2.712(18) . . ?
C12 C14 2.63(2) . . ?
C14 P22 3.124(14) . . ?
C14 C21 2.81(2) . . ?
C14 H2212 2.652(12) . . ?
C14 H2222 2.590(15) . . ?
C14 H402'b 2.661(13) . . ?
P21 C2112 2.92(3) . . ?
P21 C2116 3.03(3) . . ?
P21 C2112' 2.53(3) . . ?
P21 C2116' 2.52(3) . . ?
P21 C2122 3.07(4) . . ?
P21 C2126 2.85(4) . . ?
P21 C2122' 2.72(4) . . ?
P21 C2126' 2.50(3) . . ?
P21 C221 2.668(15) . . ?
P21 P22 3.094(6) . . ?
P21 C21 3.018(16) . . ?
P21 H2112' 2.601(5) . . ?
P21 H2116' 2.470(5) . . ?
P21 H211a 2.435(5) . . ?
P21 H211b 2.433(5) . . ?
P21 H211'a 2.450(5) . . ?
P21 H211'b 2.456(6) . . ?
P21 H221a 2.815(5) . . ?
P21 H221'a 2.776(5) . . ?
P21 H2126' 2.671(5) . . ?
C2111 C2113 2.70(4) . . ?
C2111 C2115 2.68(3) . . ?
C2111 C2113' 2.29(4) . . ?
C2111 C2114' 2.55(4) . . ?
C2111 C2115' 2.22(3) . . ?
C2111 C2121 2.76(3) . . ?
C2111 C2122' 2.92(4) . . ?
C2111 C211 2.64(3) . . ?
C2111 H2112 2.283(16) . . ?
C2111 H2116 2.169(16) . . ?
C2111 H2112' 1.757(15) . . ?
C2111 H2116' 1.963(16) . . ?
C2111 H2122' 2.631(17) . . ?
C2112 C2114 2.48(5) . . ?
C2112 C2115 2.72(4) . . ?
C2112 C2116 2.32(4) . . ?
C2112 C2114' 2.37(5) . . ?
C2112 C2115' 2.87(4) . . ?
C2112 C2116' 2.70(4) . . ?
C2112 H2113 2.06(3) . . ?
C2112 H2113' 1.72(3) . . ?
C2113 C2115 2.32(4) . . ?
C2113 C2116 2.74(4) . . ?
C2113 C2115' 2.99(4) . . ?
C2113 H2112 2.12(3) . . ?
C2113 H2114 1.93(3) . . ?
C2113 H2112' 2.08(3) . . ?
C2113 H2114' 2.44(3) . . ?
C2114 C2116 2.51(4) . . ?
C2114 C2112' 2.63(5) . . ?
C2114 C2115' 2.43(4) . . ?
C2114 H2113 2.09(3) . . ?
C2114 H2115 2.07(3) . . ?
C2115 C2112' 2.62(4) . . ?
C2115 C2116' 2.38(4) . . ?
C2115 H2114 2.07(3) . . ?
C2115 H2116 1.97(3) . . ?
C2115 H2113' 2.38(3) . . ?
C2115 H2115' 1.78(3) . . ?
C2116 C2112' 2.00(4) . . ?
C2116 C2113' 2.05(4) . . ?
C2116 H2115 2.01(3) . . ?
C2116 H2114' 2.53(3) . . ?
C2116 H2115' 1.85(3) . . ?
C2116 H2116' 1.94(3) . . ?
C2112' C2114' 2.35(5) . . ?
C2112' C2115' 2.65(4) . . ?
C2112' C2116' 2.33(4) . . ?
C2112' H2113 2.48(3) . . ?
C2112' H2113' 2.04(3) . . ?
C2113' C2115' 2.29(4) . . ?
C2113' C2116' 2.82(4) . . ?
C2113' H2112 2.38(3) . . ?
C2113' H2113 1.73(3) . . ?
C2113' H2114 1.85(3) . . ?
C2113' H2115 2.54(3) . . ?
C2113' H2112' 2.19(3) . . ?
C2113' H2114' 1.96(3) . . ?
C2114' C2116' 2.41(5) . . ?
C2114' H2114 1.85(3) . . ?
C2114' H2116 2.34(3) . . ?
C2114' H2113' 2.00(3) . . ?
C2114' H2115' 2.01(3) . . ?
C2115' H2114' 2.18(3) . . ?
C2115' H2116' 2.11(3) . . ?
C2116' C211 2.28(4) . . ?
C2116' H2115' 2.02(3) . . ?
C2116' H211a 2.15(3) . . ?
C2116' H211b 2.28(3) . . ?
C2116' H2122' 2.65(3) . . ?
C2121 C2123 2.74(5) . . ?
C2121 C2125 2.74(5) . . ?
C2121 C2123' 2.40(5) . . ?
C2121 C2124' 2.49(4) . . ?
C2121 C2125' 2.33(5) . . ?
C2121 C211' 2.41(4) . . ?
C2121 H211'a 2.64(2) . . ?
C2121 H211'b 2.34(2) . . ?
C2121 H2122 2.02(2) . . ?
C2121 H2126 2.32(2) . . ?
C2121 H2122' 2.29(2) . . ?
C2121 H2126' 1.75(2) . . ?
C2122 C2124 2.32(5) . . ?
C2122 C2125 2.47(6) . . ?
C2122 C2126 2.31(6) . . ?
C2122 C2125' 2.25(6) . . ?
C2122 H2123 2.12(4) . . ?
C2122 H2122' 2.21(4) . . ?
C2122 H2123' 2.28(4) . . ?
C2122 H2124' 2.48(4) . . ?
C2122 H2126' 2.24(4) . . ?
C2123 C2125 2.20(6) . . ?
C2123 C2126 2.90(6) . . ?
C2123 C2122' 2.46(6) . . ?
C2123 C2125' 2.16(6) . . ?
C2123 C2126' 2.46(6) . . ?
C2123 H2122 1.94(4) . . ?
C2123 H2124 2.07(4) . . ?
C2123 H2123' 2.02(4) . . ?
C2124 C2126 2.54(5) . . ?
C2124 C2123' 2.61(5) . . ?
C2124 C2126' 2.45(5) . . ?
C2124 H2123 2.08(4) . . ?
C2124 H2125 1.82(4) . . ?
C2124 H2125' 1.92(4) . . ?
C2125 H2124 1.83(4) . . ?
C2125 H2126 2.28(4) . . ?
C2125 H2124' 2.20(4) . . ?
C2125 H2126' 2.05(4) . . ?
C2126 C2122' 2.96(6) . . ?
C2126 C2124' 2.40(6) . . ?
C2126 H211'b 2.57(4) . . ?
C2126 H2125 2.17(4) . . ?
C2126 H2125' 1.80(4) . . ?
C2122' C2124' 2.36(5) . . ?
C2122' C2126' 2.38(5) . . ?
C2122' C211' 2.98(5) . . ?
C2122' H211'a 2.68(4) . . ?
C2122' H2123' 2.08(4) . . ?
C2122' H501a 2.57(4) . '3 666' ?
C2123' C2125' 2.56(6) . . ?
C2123' C2126' 2.69(6) . . ?
C2123' C501 2.81(6) . '3 666' ?
C2123' S5 3.06(4) . '3 666' ?
C2123' H2122 1.88(4) . . ?
C2123' H2123 1.87(4) . . ?
C2123' H2122' 2.10(4) . . ?
C2123' H2124' 1.94(4) . . ?
C2123' H501a 1.94(4) . '3 666' ?
C2124' C2126' 2.21(5) . . ?
C2124' H2122 2.53(4) . . ?
C2124' H2123 1.90(4) . . ?
C2124' H2124 2.09(4) . . ?
C2124' H2123' 2.00(4) . . ?
C2124' H2125' 2.15(4) . . ?
C2125' H2124 2.20(4) . . ?
C2125' H2125 1.78(4) . . ?
C2125' H2126 2.01(4) . . ?
C2125' H2124' 1.96(4) . . ?
C2125' H2126' 2.21(4) . . ?
C2126' H2122 2.40(4) . . ?
C2126' H2125 2.50(3) . . ?
C2126' H2126 1.71(4) . . ?
C2126' H2125' 2.31(3) . . ?
C211 P22 2.79(2) . . ?
C211 H2116' 1.68(2) . . ?
C211 H211'a 1.57(2) . . ?
C211 H211'b 2.38(2) . . ?
C211 H221a 1.97(2) . . ?
C211 H221b 1.96(2) . . ?
C211 H221'b 2.22(2) . . ?
C211' P22 2.71(3) . . ?
C211' H2116' 2.63(3) . . ?
C211' H211a 2.28(3) . . ?
C211' H221b 2.13(3) . . ?
C211' H221'a 1.85(3) . . ?
C211' H221'b 1.88(3) . . ?
C221 C2211 2.88(2) . . ?
C221 C2221 2.88(2) . . ?
C221 H211a 1.954(15) . . ?
C221 H211b 1.950(15) . . ?
C221 H211'a 1.931(15) . . ?
C221 H211'b 1.941(13) . . ?
P22 C2212 2.784(16) . . ?
P22 C2216 2.799(16) . . ?
P22 C2222 2.74(2) . . ?
P22 C2226 2.756(18) . . ?
P22 H221a 2.284(4) . . ?
P22 H221b 2.281(4) . . ?
P22 H221'a 2.290(4) . . ?
P22 H221'b 2.287(4) . . ?
P22 H2212 2.898(4) . . ?
P22 H2216 2.898(4) . . ?
P22 H2222 2.877(4) . . ?
C2211 C2213 2.38(2) . . ?
C2211 C2214 2.76(2) . . ?
C2211 C2215 2.39(2) . . ?
C2211 C2221 2.901(18) . . ?
C2211 H2212 2.063(13) . . ?
C2211 H2216 2.045(13) . . ?
C2212 C2214 2.38(2) . . ?
C2212 C2215 2.75(2) . . ?
C2212 C2216 2.36(2) . . ?
C2212 H2213 2.081(16) . . ?
C2213 C2215 2.38(2) . . ?
C2213 C2216 2.73(2) . . ?
C2213 H2212 2.002(16) . . ?
C2213 H2214 2.085(16) . . ?
C2214 C2216 2.37(3) . . ?
C2214 H2213 1.993(19) . . ?
C2214 H2215 2.056(19) . . ?
C2215 H2214 2.027(19) . . ?
C2215 H2216 2.058(18) . . ?
C2216 H221b 2.690(17) . . ?
C2216 H2215 2.064(15) . . ?
C2221 C2223 2.45(2) . . ?
C2221 C2224 2.89(2) . . ?
C2221 C2225 2.36(3) . . ?
C2221 H2222 2.072(13) . . ?
C2221 H2226 1.969(13) . . ?
C2222 C2224 2.49(2) . . ?
C2222 C2225 2.60(3) . . ?
C2222 C2226 2.21(3) . . ?
C2222 H2223 2.110(19) . . ?
C2223 C2225 2.12(4) . . ?
C2223 C2226 2.60(3) . . ?
C2223 H2222 2.16(2) . . ?
C2223 H2224 2.00(2) . . ?
C2224 C2226 2.37(3) . . ?
C2224 H2223 2.10(2) . . ?
C2224 H2225 1.82(2) . . ?
C2225 H2224 2.00(3) . . ?
C2225 H2226 1.97(3) . . ?
C2226 H2225 2.099(18) . . ?
C21 C23 2.62(2) . . ?
C21 H202c 2.443(15) . . ?
C21 H402c 2.621(15) . . ?
C22 C24 2.59(2) . . ?
C22 H2112 2.637(15) . . ?
C22 H202c 2.265(15) . . ?
C24 P32 3.059(15) . . ?
C24 C31 2.787(18) . . ?
P31 C3112 2.737(14) . . ?
P31 C3116 2.787(14) . . ?
P31 C3122 2.739(16) . . ?
P31 C3126 2.801(16) . . ?
P31 P32 3.082(5) . . ?
P31 C321 2.711(16) . . ?
P31 C31 3.199(14) . . ?
P31 H3112 2.853(4) . . ?
P31 H3116 2.890(4) . . ?
P31 H3122 2.883(4) . . ?
P31 H311a 2.356(4) . . ?
P31 H311b 2.355(4) . . ?
C311 C3111 2.929(18) . . ?
C311 C3121 2.83(2) . . ?
C311 P32 2.769(14) . . ?
C311 H3116 2.599(14) . . ?
C311 H321a 2.071(13) . . ?
C311 H321b 2.031(15) . . ?
C3111 C3113 2.342(19) . . ?
C3111 C3114 2.725(19) . . ?
C3111 C3115 2.37(2) . . ?
C3111 C3121 2.846(18) . . ?
C3111 H3112 2.072(13) . . ?
C3111 H3116 2.049(12) . . ?
C3112 C3114 2.41(2) . . ?
C3112 C3115 2.77(2) . . ?
C3112 C3116 2.38(2) . . ?
C3112 H3113 2.059(14) . . ?
C3113 C3115 2.33(2) . . ?
C3113 C3116 2.69(2) . . ?
C3113 H3112 2.099(15) . . ?
C3113 H3114 1.985(15) . . ?
C3114 C3116 2.35(2) . . ?
C3114 H3113 2.049(16) . . ?
C3114 H3115 1.990(16) . . ?
C3115 H3114 2.097(15) . . ?
C3115 H3116 2.044(15) . . ?
C3116 H3115 2.059(13) . . ?
C3121 C3123 2.42(2) . . ?
C3121 C3124 2.79(2) . . ?
C3121 C3125 2.38(2) . . ?
C3121 H3122 2.124(13) . . ?
C3121 H3126 2.006(13) . . ?
C3122 C3124 2.41(2) . . ?
C3122 C3125 2.73(2) . . ?
C3122 C3126 2.39(2) . . ?
C3122 H3123 2.085(15) . . ?
C3123 C3125 2.31(3) . . ?
C3123 C3126 2.72(2) . . ?
C3123 H3122 2.14(2) . . ?
C3123 H3124 1.91(2) . . ?
C3124 C3126 2.38(2) . . ?
C3124 H3123 2.09(2) . . ?
C3124 H3125 1.97(2) . . ?
C3125 H3124 2.140(18) . . ?
C3125 H3126 1.982(18) . . ?
C3126 H3125 2.057(15) . . ?
P32 C3212 2.704(17) . . ?
P32 C3216 2.750(18) . . ?
P32 C3222 2.80(2) . . ?
P32 C3226 2.63(3) . . ?
P32 H321a 2.369(4) . . ?
P32 H321b 2.369(4) . . ?
P32 H3212 2.818(4) . . ?
P32 H3216 2.894(4) . . ?
P32 H3222 2.882(4) . . ?
P32 H3226 2.806(4) . . ?
C321 C3211 2.92(2) . . ?
C321 C3221 2.93(2) . . ?
C321 H311a 2.064(15) . . ?
C321 H311b 2.075(15) . . ?
C3211 C3213 2.34(2) . . ?
C3211 C3214 2.73(2) . . ?
C3211 C3215 2.38(2) . . ?
C3211 C3221 2.88(2) . . ?
C3211 H3212 1.967(13) . . ?
C3211 H3216 2.057(13) . . ?
C3211 H3226 2.619(13) . . ?
C3212 C3214 2.32(3) . . ?
C3212 C3215 2.66(3) . . ?
C3212 C3216 2.27(3) . . ?
C3212 H3213 2.109(16) . . ?
C3213 C3215 2.29(3) . . ?
C3213 C3216 2.69(3) . . ?
C3213 H3212 2.001(19) . . ?
C3213 H3214 2.04(2) . . ?
C3214 C3216 2.41(3) . . ?
C3214 H3213 1.89(2) . . ?
C3214 H3215 2.10(2) . . ?
C3215 H3214 1.99(2) . . ?
C3215 H3216 2.06(2) . . ?
C3216 H3215 2.091(18) . . ?
C3216 H3226 2.62(2) . . ?
C3221 C3223 2.46(3) . . ?
C3221 C3224 2.66(3) . . ?
C3221 C3225 2.23(3) . . ?
C3221 H3222 2.060(15) . . ?
C3221 H3226 1.923(15) . . ?
C3222 C3224 2.42(3) . . ?
C3222 C3225 2.58(3) . . ?
C3222 C3226 2.16(3) . . ?
C3222 H3223 2.15(2) . . ?
C3223 C3225 2.15(4) . . ?
C3223 C3226 2.57(4) . . ?
C3223 H3222 2.22(2) . . ?
C3223 H3224 2.01(3) . . ?
C3224 C3226 2.13(4) . . ?
C3224 H3223 2.17(2) . . ?
C3224 H3225 1.65(2) . . ?
C3225 H3224 1.91(4) . . ?
C3225 H3226 1.94(3) . . ?
C3226 H3225 2.11(2) . . ?
C31 C33 2.62(2) . . ?
C32 C34 2.62(2) . . ?
C32 H301'b 2.585(13) . . ?
C34 P42 3.075(13) . . ?
C34 C41 2.828(18) . . ?
C34 H4222 2.572(12) . . ?
P41 C4112 2.74(2) . . ?
P41 C4116 2.68(2) . . ?
P41 C4112' 2.61(3) . . ?
P41 C4116' 2.92(3) . . ?
P41 C4122 2.712(16) . . ?
P41 C4126 2.844(19) . . ?
P41 P42 3.106(6) . . ?
P41 C421 2.742(14) . . ?
P41 C41 3.060(13) . . ?
P41 H4112 2.835(4) . . ?
P41 H4116 2.786(4) . . ?
P41 H4112' 2.658(4) . . ?
P41 H4122 2.789(4) . . ?
P41 H411a 2.399(4) . . ?
P41 H411b 2.403(4) . . ?
P41 H421b 2.877(4) . . ?
C411 C4111 2.94(2) . . ?
C411 C4121 2.93(2) . . ?
C411 P42 2.689(18) . . ?
C411 H421a 1.974(18) . . ?
C411 H421b 1.93(2) . . ?
C4111 C4113 2.38(3) . . ?
C4111 C4114 2.77(2) . . ?
C4111 C4115 2.43(3) . . ?
C4111 C4113' 2.61(4) . . ?
C4111 C4114' 2.96(4) . . ?
C4111 C4115' 2.50(3) . . ?
C4111 C4121 2.855(18) . . ?
C4111 H4112 1.961(13) . . ?
C4111 H4116 2.078(13) . . ?
C4111 H4112' 2.103(12) . . ?
C4111 H4116' 2.103(13) . . ?
C4112 C4114 2.38(3) . . ?
C4112 C4115 2.73(3) . . ?
C4112 C4116 2.34(3) . . ?
C4112 C4114' 2.31(4) . . ?
C4112 C4115' 2.51(3) . . ?
C4112 C4116' 2.18(3) . . ?
C4112 H4113 2.03(2) . . ?
C4112 H4113' 2.26(2) . . ?
C4113 C4115 2.32(4) . . ?
C4113 C4116 2.73(3) . . ?
C4113 C4116' 2.44(4) . . ?
C4113 H4112 2.04(2) . . ?
C4113 H4114 1.99(2) . . ?
C4113 H4112' 2.66(2) . . ?
C4113 H4113' 1.84(2) . . ?
C4113 H4114' 2.24(2) . . ?
C4114 C4116 2.41(3) . . ?
C4114 C4112' 2.97(4) . . ?
C4114 C4113' 2.47(4) . . ?
C4114 C4116' 2.13(4) . . ?
C4114 H4113 1.95(2) . . ?
C4114 H4115 2.07(2) . . ?
C4114 H4114' 2.12(2) . . ?
C4114 H4115' 1.94(2) . . ?
C4115 C4114' 2.52(4) . . ?
C4115 H4114 1.95(3) . . ?
C4115 H4116 2.09(3) . . ?
C4115 H4116' 1.66(3) . . ?
C4116 C4112' 2.73(3) . . ?
C4116 H4115 2.08(2) . . ?
C4116 H4115' 2.48(2) . . ?
C4112' C4114' 2.51(5) . . ?
C4112' C4115' 2.88(4) . . ?
C4112' C4116' 2.51(3) . . ?
C4112' H4113 2.39(3) . . ?
C4112' H4113' 2.17(3) . . ?
C4113' C4115' 2.51(4) . . ?
C4113' C4116' 2.95(4) . . ?
C4113' H4112 1.87(3) . . ?
C4113' H4112' 1.98(4) . . ?
C4113' H4114' 2.24(3) . . ?
C4114' C4116' 2.58(4) . . ?
C4114' H4113 1.57(4) . . ?
C4114' H4114 2.11(5) . . ?
C4114' H4113' 1.81(3) . . ?
C4114' H4115' 2.41(3) . . ?
C4114' H302c 2.16(3) . '3 565' ?
C4114' H302'c 2.45(3) . '3 565' ?
C4115' H4113 2.57(3) . . ?
C4115' H4114 1.81(4) . . ?
C4115' H4115 1.75(3) . . ?
C4115' H4114' 1.95(3) . . ?
C4115' H4116' 2.32(3) . . ?
C4115' H302c 2.70(3) . '3 565' ?
C4116' H4115 1.99(3) . . ?
C4116' H4115' 2.06(3) . . ?
C4121 C4123 2.34(2) . . ?
C4121 C4124 2.73(2) . . ?
C4121 C4125 2.38(2) . . ?
C4121 H4122 1.990(12) . . ?
C4121 H4126 2.062(12) . . ?
C4122 C4124 2.37(2) . . ?
C4122 C4125 2.67(2) . . ?
C4122 C4126 2.37(2) . . ?
C4122 H4123 1.999(15) . . ?
C4123 C4125 2.26(3) . . ?
C4123 C4126 2.73(2) . . ?
C4123 H4122 2.015(18) . . ?
C4123 H4124 1.909(18) . . ?
C4124 C4126 2.37(3) . . ?
C4124 H4123 2.04(2) . . ?
C4124 H4125 1.87(2) . . ?
C4125 H4124 1.987(18) . . ?
C4125 H4126 2.038(18) . . ?
C4126 H4125 2.074(19) . . ?
P42 C4212 2.756(18) . . ?
P42 C4216 2.790(18) . . ?
P42 C4222 2.736(14) . . ?
P42 C4226 2.807(15) . . ?
P42 H421a 2.340(4) . . ?
P42 H421b 2.339(4) . . ?
P42 H4212 2.827(4) . . ?
P42 H4222 2.852(4) . . ?
C421 C4211 2.82(2) . . ?
C421 C4221 2.87(2) . . ?
C421 H411a 2.080(15) . . ?
C421 H411b 2.062(14) . . ?
C4211 C4213 2.50(2) . . ?
C4211 C4214 2.83(2) . . ?
C4211 C4215 2.44(2) . . ?
C4211 C4221 2.904(18) . . ?
C4211 H4212 2.030(13) . . ?
C4211 H4216 2.028(13) . . ?
C4212 C4214 2.39(3) . . ?
C4212 C4215 2.68(3) . . ?
C4212 C4216 2.29(2) . . ?
C4212 H4213 2.060(18) . . ?
C4213 C4215 2.26(3) . . ?
C4213 C4216 2.72(3) . . ?
C4213 H4212 2.11(2) . . ?
C4213 H4214 1.97(2) . . ?
C4214 C4216 2.36(2) . . ?
C4214 H4213 2.02(2) . . ?
C4214 H4215 1.939(19) . . ?
C4215 H4214 1.928(18) . . ?
C4215 H4216 2.117(18) . . ?
C4216 H4215 2.067(17) . . ?
C4221 C4223 2.37(2) . . ?
C4221 C4224 2.79(2) . . ?
C4221 C4225 2.44(2) . . ?
C4221 H4222 2.041(13) . . ?
C4221 H4226 2.064(13) . . ?
C4222 C4224 2.43(2) . . ?
C4222 C4225 2.77(2) . . ?
C4222 C4226 2.36(2) . . ?
C4222 H4223 2.086(14) . . ?
C4223 C4225 2.36(2) . . ?
C4223 C4226 2.72(2) . . ?
C4223 H4222 2.051(15) . . ?
C4223 H4224 2.058(15) . . ?
C4224 C4226 2.37(2) . . ?
C4224 H4223 2.046(15) . . ?
C4224 H4225 2.017(15) . . ?
C4225 H4224 1.991(16) . . ?
C4225 H4226 2.067(16) . . ?
C4226 H4216 2.677(14) . . ?
C4226 H4225 2.084(15) . . ?
C41 C43 2.624(18) . . ?
C41 H4112' 2.671(13) . . ?
C42 C44 2.633(18) . . ?
C101 C102 2.53(4) . . ?
C101 O1 2.58(3) . . ?
C101 H102b 2.66(3) . . ?
C101 H102c 2.62(3) . . ?
C102 O1 2.56(3) . . ?
C102 H101b 2.61(2) . . ?
S1 H101a 2.189(7) . . ?
S1 H101b 2.192(6) . . ?
S1 H101c 2.186(7) . . ?
S1 H102a 2.206(8) . . ?
S1 H102b 2.209(8) . . ?
S1 H102c 2.208(8) . . ?
O1 O01 2.91(2) . . ?
O1 H1126 2.512(15) . '3 566' ?
O1 H4226 2.570(14) . 4 ?
C201 C202 2.84(5) . . ?
C201 O2 2.63(4) . . ?
C202 O2 2.70(4) . . ?
S2 H201a 2.231(12) . . ?
S2 H201b 2.220(12) . . ?
S2 H201c 2.242(13) . . ?
S2 H202a 2.120(11) . . ?
S2 H202b 2.125(9) . . ?
S2 H202c 2.158(9) . . ?
O2 H221'b 2.644(15) . '4 564' ?
O2 H2216 2.339(16) . '4 564' ?
O2 H3116 2.699(16) . '3 665' ?
O2 H3124 2.510(16) . '2 655' ?
O2 H201c 2.690(17) . . ?
C301 C302 2.74(6) . . ?
C301 O3 2.54(4) . . ?
C302 O3 2.53(4) . . ?
C302 H4114' 2.36(4) . '3 565' ?
S3 H201b 2.82(2) . . ?
S3 H301a 2.25(3) . . ?
S3 H301b 2.31(3) . . ?
S3 H301c 2.40(3) . . ?
S3 H301'a 2.54(3) . . ?
S3 H301'b 2.42(3) . . ?
S3 H301'c 1.76(3) . . ?
S3 H302a 2.31(3) . . ?
S3 H302b 2.24(3) . . ?
S3 H302c 2.22(3) . . ?
S3 H302'a 2.45(3) . . ?
S3 H302'c 2.42(3) . . ?
S3' H301a 2.290(13) . . ?
S3' H301b 2.293(13) . . ?
S3' H301c 1.754(13) . . ?
S3' H301'a 2.162(13) . . ?
S3' H301'b 2.203(13) . . ?
S3' H301'c 2.108(13) . . ?
S3' H302a 1.733(13) . . ?
S3' H302b 2.296(13) . . ?
S3' H302c 2.339(13) . . ?
S3' H302'a 2.177(13) . . ?
S3' H302'b 2.122(13) . . ?
S3' H302'c 2.282(13) . . ?
O3 H301'c 2.692(17) . . ?
C401 C402 2.59(4) . . ?
C401 O4 2.68(3) . . ?
C402 O4 2.45(3) . . ?
C402 H401'c 2.67(3) . . ?
S4 H401a 2.219(13) . . ?
S4 H401b 2.225(12) . . ?
S4 H401c 2.216(13) . . ?
S4 H401'a 2.435(12) . . ?
S4 H401'b 2.315(13) . . ?
S4 H402a 2.127(12) . . ?
S4 H402b 2.114(12) . . ?
S4 H402c 2.124(10) . . ?
S4 H402'a 2.292(13) . . ?
S4 H402'b 2.271(10) . . ?
S4' H101b 2.857(19) . . ?
S4' H401a 2.326(17) . . ?
S4' H401b 2.518(18) . . ?
S4' H401c 1.706(17) . . ?
S4' H401'a 2.291(17) . . ?
S4' H401'b 2.243(17) . . ?
S4' H401'c 2.275(18) . . ?
S4' H402a 2.336(18) . . ?
S4' H402c 2.401(18) . . ?
S4' H402'a 2.193(18) . . ?
S4' H402'b 2.225(18) . . ?
S4' H402'c 2.199(19) . . ?
O4 O01 2.62(2) . . ?
O4 H102b 2.667(18) . . ?
O4 H402b 2.666(16) . . ?
O4 H402'c 2.679(16) . . ?
C501 C502 2.70(4) . . ?
C501 O5 2.26(4) . . ?
C501 H2123' 2.14(3) . '3 666' ?
C502 O5 2.53(3) . . ?
S5 H2123' 2.622(12) . '3 666' ?
S5 H501a 2.005(12) . . ?
S5 H501b 1.998(16) . . ?
S5 H501c 2.038(12) . . ?
S5 H502a 2.174(13) . . ?
S5 H502b 2.162(12) . . ?
S5 H502c 2.206(12) . . ?
O5 H2115 2.40(2) . '2 645' ?
O5 H2114' 2.67(2) . '2 645' ?
O5 H3114 2.66(2) . 4 ?
O5 H4215 2.59(2) . 4 ?
O5 H4223 2.62(2) . . ?
O5 H501b 2.60(2) . . ?
O5 H501c 2.46(2) . . ?
O5 H502b 2.63(2) . . ?
O01 H1226 2.672(14) . '3 566' ?
O01 H4225 2.455(13) . 4 ?
H1112 H1113 2.33786(9) . . ?
H1113 H1114 2.35603(9) . . ?
H1114 H1115 2.32876(9) . . ?
H1115 H1116 2.36783(9) . . ?
H1116 H111a 2.13764(10) . . ?
H1122 H1123 2.37492(8) . . ?
H1123 H1124 2.33918(11) . . ?
H1124 H1125 2.28319(9) . . ?
H1125 H1126 2.35318(7) . . ?
H1126 H111b 2.29701(9) . . ?
H111a H111b 1.55149(6) . . ?
H111a H121b 2.30822(9) . . ?
H111b H121a 2.30641(7) . . ?
H121a H121b 1.55109(6) . . ?
H121a H1226 2.04569(8) . . ?
H1212 H1213 2.37191(8) . . ?
H1213 H1214 2.35502(9) . . ?
H1214 H1215 2.33936(11) . . ?
H1215 H1216 2.39978(8) . . ?
H1222 H1223 2.32403(10) . . ?
H1223 H1224 2.20687(8) . . ?
H1223 H101c 2.20474(8) . . ?
H1224 H1225 2.30237(11) . . ?
H1225 H402b 2.31338(10) . '3 566' ?
H2112 H2113 2.32604(8) . . ?
H2112 H2113' 2.35946(8) . . ?
H2113 H2114 2.25560(12) . . ?
H2113 H3226 1.91546(10) . . ?
H2114 H2113' 1.71631(6) . . ?
H2114 H2114' 1.28395(7) . . ?
H2115 H2116 2.18714(8) . . ?
H2115 H2114' 1.26497(5) . . ?
H2115 H2115' 1.31024(6) . . ?
H2116 H2115' 1.81142(8) . . ?
H2116 H2116' 1.91284(9) . . ?
H2116 H211a 2.26030(9) . . ?
H2112' H2113' 2.37648(9) . . ?
H2113' H2114' 2.37073(14) . . ?
H2116' H211a 1.70972(7) . . ?
H2116' H211b 1.44415(6) . . ?
H2116' H211'a 2.31717(10) . . ?
H211a H211b 1.55144(6) . . ?
H211a H221b 2.17538(8) . . ?
H211a H221'a 1.17378(4) . . ?
H211b H211'a 1.08017(4) . . ?
H211b H221a 2.15618(7) . . ?
H211b H221b 2.27315(9) . . ?
H211b H221'a 1.66611(7) . . ?
H211'a H211'b 1.55126(6) . . ?
H211'a H221a 1.62296(7) . . ?
H211'a H221'a 2.15896(7) . . ?
H211'a H221'b 2.23683(9) . . ?
H211'b H221a 1.17332(6) . . ?
H211'b H221'b 2.17567(12) . . ?
H211'b H2126 2.35248(14) . . ?
H221a H221b 1.55123(8) . . ?
H221a H221'a 1.80651(7) . . ?
H221a H221'b 1.00922(6) . . ?
H221b H221'a 1.01611(4) . . ?
H221b H2216 2.23413(9) . . ?
H221'a H221'b 1.55149(7) . . ?
H221'b H2226 2.22263(7) . . ?
H2122 H2123 2.30020(8) . . ?
H2122 H2122' 1.91496(12) . . ?
H2122 H3225 2.38128(8) . . ?
H2123 H2123' 1.84334(12) . . ?
H2123 H2124' 1.71944(6) . . ?
H2124 H2125 2.11100(9) . . ?
H2124 H2124' 1.54363(9) . . ?
H2124 H2125' 2.27105(9) . . ?
H2125 H2125' 1.51940(7) . . ?
H2126 H2125' 2.07389(7) . . ?
H2126 H2126' 1.86693(6) . . ?
H2123' H2124' 2.19940(8) . . ?
H2123' H501a 1.20800(6) . '3 666' ?
H2123' H502c 2.37861(12) . '3 666' ?
H2212 H2213 2.37388(10) . . ?
H2213 H2214 2.31388(11) . . ?
H2214 H2215 2.33262(9) . . ?
H2215 H2216 2.36438(10) . . ?
H2222 H2223 2.38472(9) . . ?
H2223 H2224 2.38102(10) . . ?
H2224 H2225 2.19115(10) . . ?
H2225 H2226 2.28775(8) . . ?
H3112 H3113 2.37008(8) . . ?
H3113 H3114 2.28053(10) . . ?
H3114 H3115 2.37667(9) . . ?
H3115 H3116 2.37873(8) . . ?
H3116 H311a 2.38368(11) . . ?
H3116 H311b 2.35180(8) . . ?
H3122 H3123 2.36195(10) . . ?
H3122 H502b 2.34885(11) . . ?
H3123 H3124 2.26844(9) . . ?
H3124 H3125 2.39391(9) . . ?
H3125 H3126 2.35690(9) . . ?
H3126 H311b 2.30523(11) . . ?
H311a H311b 1.55142(7) . . ?
H311a H321a 2.32506(7) . . ?
H311b H321b 2.32088(10) . . ?
H321a H321b 1.55110(6) . . ?
H321b H3222 2.24127(11) . . ?
H3212 H3213 2.37271(10) . . ?
H3213 H3214 2.27595(9) . . ?
H3214 H3215 2.31005(8) . . ?
H3215 H3216 2.34937(10) . . ?
H3223 H3224 2.38182(15) . . ?
H3224 H3225 2.01337(7) . . ?
H3225 H3226 2.27818(10) . . ?
H4112 H4113 2.34785(7) . . ?
H4112 H4112' 1.01212(4) . . ?
H4112 H4113' 2.32309(10) . . ?
H4113 H4114 2.30789(8) . . ?
H4113 H4113' 1.30384(5) . . ?
H4113 H4114' 2.15494(9) . . ?
H4114 H4115 2.31839(9) . . ?
H4114 H4114' 2.16165(10) . . ?
H4114 H4115' 2.15021(8) . . ?
H4115 H4116 2.35367(8) . . ?
H4115 H4115' 1.23530(7) . . ?
H4115 H4116' 1.88724(7) . . ?
H4116 H411a 2.35196(9) . . ?
H4113' H4114' 2.37214(10) . . ?
H4114' H302c 1.37509(5) . '3 565' ?
H4114' H302'b 1.95042(8) . '3 565' ?
H4114' H302'c 1.78401(6) . '3 565' ?
H4122 H4123 2.26080(8) . . ?
H4123 H4124 2.22319(11) . . ?
H4124 H4125 2.24777(12) . . ?
H4125 H4126 2.37589(9) . . ?
H4126 H411b 2.17475(8) . . ?
H411a H411b 1.55109(5) . . ?
H411a H421a 2.36572(9) . . ?
H411a H421b 2.29231(7) . . ?
H411b H421a 2.29886(10) . . ?
H421a H421b 1.55116(8) . . ?
H421a H4226 2.19533(8) . . ?
H4212 H4213 2.36438(11) . . ?
H4213 H4214 2.31697(8) . . ?
H4214 H4215 2.24486(12) . . ?
H4215 H4216 2.36560(11) . . ?
H4222 H4223 2.37012(9) . . ?
H4223 H4224 2.35165(13) . . ?
H4224 H4225 2.29371(9) . . ?
H4225 H4226 2.38412(9) . . ?
H101a H101b 1.55151(5) . . ?
H101a H101c 1.55159(8) . . ?
H101b H101c 1.55151(6) . . ?
H101b H102b 2.36279(8) . . ?
H102a H102b 1.55057(9) . . ?
H102a H102c 1.55114(7) . . ?
H102b H102c 1.55178(6) . . ?
H102b H502a 2.19872(9) . . ?
H201a H201b 1.55156(8) . . ?
H201a H201c 1.55148(8) . . ?
H201b H201c 1.55159(8) . . ?
H202a H202b 1.55115(5) . . ?
H202a H202c 1.55139(5) . . ?
H202b H202c 1.55113(8) . . ?
H202b H301b 1.95959(12) . . ?
H202b H301'c 2.08534(11) . . ?
H301a H301b 1.55139(6) . . ?
H301a H301c 1.55138(8) . . ?
H301a H301'a 1.68904(6) . . ?
H301a H301'c 1.16455(8) . . ?
H301b H301c 1.55136(7) . . ?
H301b H301'b 1.68607(9) . . ?
H301c H301'b 1.16439(6) . . ?
H301c H301'c 1.89248(8) . . ?
H301'a H301'b 1.55177(5) . . ?
H301'a H301'c 1.55155(5) . . ?
H301'b H301'c 1.55205(10) . . ?
H302a H302b 1.55114(8) . . ?
H302a H302c 1.55651(5) . . ?
H302a H302'a 1.02849(4) . . ?
H302a H302'b 1.89831(8) . . ?
H302a H302'c 1.15761(4) . . ?
H302b H302c 1.55642(6) . . ?
H302b H302'b 1.02861(7) . . ?
H302b H302'c 1.65599(6) . . ?
H302c H302'a 1.68426(8) . . ?
H302c H302'b 1.12829(4) . . ?
H302'a H302'b 1.55135(8) . . ?
H302'a H302'c 1.53238(6) . . ?
H302'b H302'c 1.53246(7) . . ?
H401a H401b 1.55134(9) . . ?
H401a H401c 1.55119(5) . . ?
H401a H401'a 1.65150(10) . . ?
H401a H401'c 1.32816(5) . . ?
H401b H401c 1.55123(5) . . ?
H401b H401'b 1.63938(8) . . ?
H401c H401'b 1.32663(5) . . ?
H401c H401'c 1.87162(8) . . ?
H401'a H401'b 1.55127(10) . . ?
H401'a H401'c 1.55137(6) . . ?
H401'b H401'c 1.55110(6) . . ?
H402a H402b 1.55131(6) . . ?
H402a H402c 1.55138(6) . . ?
H402a H402'b 1.67446(6) . . ?
H402a H402'c 1.13796(5) . . ?
H402b H402c 1.55091(5) . . ?
H402b H402'a 1.13896(4) . . ?
H402b H402'b 1.11120(4) . . ?
H402b H402'c 1.89806(8) . . ?
H402c H402'a 1.65217(6) . . ?
H402c H402'c 1.11271(5) . . ?
H402'a H402'b 1.55132(6) . . ?
H402'a H402'c 1.55129(6) . . ?
H402'b H402'c 1.55098(6) . . ?
H501a H501b 1.55123(5) . . ?
H501a H501c 1.54554(10) . . ?
H501b H501c 1.54558(5) . . ?
H502a H502b 1.55124(6) . . ?
H502a H502c 1.55142(5) . . ?
H502b H502c 1.55170(6) . . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
? ? ? ? ? ? ? ? ? ? ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
? ? ? ? ? ? ? ? ? ?
