#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:34:00 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179851 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/47/7014784.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_7014784
loop_
_publ_author_name
'Lancashire, Hannah N.'
'Brown, Neil J.'
'Carthy, Laura'
'Collison, David'
'Fitzgerald, Emma C.'
'Edge, Ruth'
'Helliwell, Madeleine'
'Holden, Mark'
'Low, Paul J.'
'McDouall, Joseph J. W.'
'Whiteley, Mark W.'
_publ_section_title
;
 Synthesis, spectroscopy and electronic structure of the vinylidene and
 alkynyl complexes [W(C=CHR)(dppe)(η-C₇H₇)](+) and
 [W(C≡CR)(dppe)(η-C₇H₇](n+) (n = 0 or 1).
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1267
_journal_page_last               1278
_journal_paper_doi               10.1039/c0dt01150a
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C41 H37 F6 P3 W'
_chemical_formula_weight         920.47
_chemical_name_systematic
;
?
;
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 104.641(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            8
_cell_length_a                   33.250(5)
_cell_length_b                   12.061(5)
_cell_length_c                   18.645(5)
_cell_measurement_reflns_used    900
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      22.60
_cell_measurement_theta_min      2.24
_cell_volume                     7234(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0775
_diffrn_reflns_av_sigmaI/netI    0.0974
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            40504
_diffrn_reflns_theta_full        26.42
_diffrn_reflns_theta_max         26.42
_diffrn_reflns_theta_min         1.27
_exptl_absorpt_coefficient_mu    3.388
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.464
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.690
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3648
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.815
_refine_diff_density_min         -1.334
_refine_diff_density_rms         0.173
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     983
_refine_ls_number_reflns         14741
_refine_ls_number_restraints     267
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0880
_refine_ls_R_factor_gt           0.0512
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0438P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0954
_refine_ls_wR_factor_ref         0.1113
_reflns_number_gt                10242
_reflns_number_total             14741
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0DT01150A.TXT
_cod_data_source_block           s2746abs
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_H-M      P2(1)/c
_cod_database_code               7014784
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.119008(8) 0.51496(2) 0.470650(15) 0.01541(7) Uani 1 1 d . . .
P1 P 0.08236(5) 0.63259(14) 0.36334(9) 0.0169(4) Uani 1 1 d . . .
P2 P 0.09486(5) 0.36747(14) 0.37499(9) 0.0172(4) Uani 1 1 d . . .
C1 C 0.1067(2) 0.3825(6) 0.5497(4) 0.0238(16) Uani 1 1 d D . .
H1 H 0.1014 0.3074 0.5403 0.029 Uiso 1 1 calc R . .
C2 C 0.1491(2) 0.4110(5) 0.5757(3) 0.0210(16) Uani 1 1 d D . .
H2 H 0.1676 0.3522 0.5874 0.025 Uiso 1 1 calc R . .
C3 C 0.1664(2) 0.5171(5) 0.5860(3) 0.0225(15) Uani 1 1 d D . .
H3 H 0.1952 0.5191 0.6021 0.027 Uiso 1 1 calc R . .
C4 C 0.1467(2) 0.6220(6) 0.5756(4) 0.0243(16) Uani 1 1 d D . .
H4 H 0.1641 0.6832 0.5876 0.029 Uiso 1 1 calc R . .
C5 C 0.10390(19) 0.6451(5) 0.5494(4) 0.0210(15) Uani 1 1 d D . .
H5 H 0.0969 0.7194 0.5408 0.025 Uiso 1 1 calc R . .
C6 C 0.0700(2) 0.5689(5) 0.5343(4) 0.0195(15) Uani 1 1 d D . .
H6 H 0.0436 0.6005 0.5220 0.023 Uiso 1 1 calc R . .
C7 C 0.0712(2) 0.4517(5) 0.5358(4) 0.0228(16) Uani 1 1 d D . .
H7 H 0.0457 0.4158 0.5265 0.027 Uiso 1 1 calc R . .
C8 C 0.1614(2) 0.5309(5) 0.4165(4) 0.0192(15) Uani 1 1 d . . .
C9 C 0.1864(2) 0.5391(5) 0.3715(4) 0.0183(15) Uani 1 1 d . . .
H9 H 0.1736 0.5321 0.3212 0.022 Uiso 1 1 calc R . .
C10 C 0.2313(2) 0.5575(5) 0.3901(4) 0.0184(15) Uani 1 1 d . . .
C11 C 0.2549(2) 0.5656(6) 0.4632(4) 0.0283(17) Uani 1 1 d . . .
H11 H 0.2420 0.5595 0.5019 0.034 Uiso 1 1 calc R . .
C12 C 0.2974(2) 0.5829(6) 0.4789(5) 0.036(2) Uani 1 1 d . . .
H12 H 0.3130 0.5859 0.5279 0.043 Uiso 1 1 calc R . .
C13 C 0.3169(2) 0.5956(6) 0.4219(5) 0.0329(19) Uani 1 1 d . . .
H13 H 0.3453 0.6087 0.4325 0.040 Uiso 1 1 calc R . .
C14 C 0.2940(2) 0.5888(6) 0.3500(5) 0.0320(19) Uani 1 1 d . . .
H14 H 0.3070 0.5973 0.3118 0.038 Uiso 1 1 calc R . .
C15 C 0.2515(2) 0.5693(6) 0.3333(4) 0.0276(17) Uani 1 1 d . . .
H15 H 0.2363 0.5641 0.2841 0.033 Uiso 1 1 calc R . .
C16 C 0.1060(2) 0.7615(5) 0.3441(3) 0.0173(14) Uani 1 1 d . . .
C17 C 0.1376(2) 0.8137(6) 0.3959(4) 0.0253(16) Uani 1 1 d . . .
H17 H 0.1481 0.7811 0.4421 0.030 Uiso 1 1 calc R . .
C18 C 0.1539(2) 0.9139(6) 0.3800(4) 0.0325(19) Uani 1 1 d . . .
H18 H 0.1747 0.9491 0.4154 0.039 Uiso 1 1 calc R . .
C19 C 0.1388(2) 0.9605(6) 0.3108(4) 0.0295(18) Uani 1 1 d . . .
H19 H 0.1499 1.0271 0.2994 0.035 Uiso 1 1 calc R . .
C20 C 0.1078(2) 0.9100(5) 0.2586(4) 0.0290(18) Uani 1 1 d . . .
H20 H 0.0977 0.9424 0.2123 0.035 Uiso 1 1 calc R . .
C21 C 0.0913(2) 0.8106(6) 0.2753(4) 0.0283(18) Uani 1 1 d . . .
H21 H 0.0702 0.7764 0.2398 0.034 Uiso 1 1 calc R . .
C22 C 0.0287(2) 0.6772(5) 0.3587(4) 0.0223(16) Uani 1 1 d . . .
C23 C 0.0227(2) 0.7580(5) 0.4082(4) 0.0213(16) Uani 1 1 d . . .
H23 H 0.0455 0.7897 0.4414 0.026 Uiso 1 1 calc R . .
C24 C -0.0177(2) 0.7916(6) 0.4079(4) 0.0251(17) Uani 1 1 d . . .
H24 H -0.0217 0.8451 0.4414 0.030 Uiso 1 1 calc R . .
C25 C -0.0511(2) 0.7460(6) 0.3587(4) 0.0240(16) Uani 1 1 d . . .
H25 H -0.0779 0.7683 0.3589 0.029 Uiso 1 1 calc R . .
C26 C -0.0454(2) 0.6669(5) 0.3089(4) 0.0237(16) Uani 1 1 d . . .
H26 H -0.0683 0.6364 0.2754 0.028 Uiso 1 1 calc R . .
C27 C -0.0054(2) 0.6321(5) 0.3085(4) 0.0210(15) Uani 1 1 d . . .
H27 H -0.0017 0.5789 0.2746 0.025 Uiso 1 1 calc R . .
C28 C 0.0781(2) 0.5516(5) 0.2796(4) 0.0186(15) Uani 1 1 d . . .
H28A H 0.0579 0.5862 0.2390 0.022 Uiso 1 1 calc R . .
H28B H 0.1047 0.5514 0.2672 0.022 Uiso 1 1 calc R . .
C29 C 0.0648(2) 0.4318(5) 0.2885(3) 0.0183(15) Uani 1 1 d . . .
H29A H 0.0684 0.3883 0.2467 0.022 Uiso 1 1 calc R . .
H29B H 0.0356 0.4307 0.2878 0.022 Uiso 1 1 calc R . .
C30 C 0.0581(2) 0.2596(5) 0.3874(3) 0.0168(14) Uani 1 1 d . . .
C31 C 0.0175(2) 0.2898(6) 0.3891(3) 0.0188(15) Uani 1 1 d . . .
H31 H 0.0101 0.3643 0.3861 0.023 Uiso 1 1 calc R . .
C32 C -0.0114(2) 0.2113(6) 0.3950(3) 0.0231(16) Uani 1 1 d . . .
H32 H -0.0382 0.2328 0.3955 0.028 Uiso 1 1 calc R . .
C33 C -0.0006(2) 0.1002(6) 0.4002(4) 0.0251(17) Uani 1 1 d . . .
H33 H -0.0203 0.0470 0.4035 0.030 Uiso 1 1 calc R . .
C34 C 0.0393(2) 0.0684(6) 0.4004(4) 0.0252(17) Uani 1 1 d . . .
H34 H 0.0466 -0.0063 0.4047 0.030 Uiso 1 1 calc R . .
C35 C 0.0689(2) 0.1477(5) 0.3943(4) 0.0212(15) Uani 1 1 d . . .
H35 H 0.0958 0.1259 0.3948 0.025 Uiso 1 1 calc R . .
C36 C 0.1382(2) 0.2935(5) 0.3535(4) 0.0188(15) Uani 1 1 d . . .
C37 C 0.1458(2) 0.3012(5) 0.2828(4) 0.0235(16) Uani 1 1 d . . .
H37 H 0.1273 0.3397 0.2453 0.028 Uiso 1 1 calc R . .
C38 C 0.1804(2) 0.2519(6) 0.2690(4) 0.0317(19) Uani 1 1 d . . .
H38 H 0.1850 0.2562 0.2220 0.038 Uiso 1 1 calc R . .
C39 C 0.2081(2) 0.1965(6) 0.3245(4) 0.0296(18) Uani 1 1 d . . .
H39 H 0.2315 0.1638 0.3149 0.036 Uiso 1 1 calc R . .
C40 C 0.2015(2) 0.1892(6) 0.3938(4) 0.0333(19) Uani 1 1 d . . .
H40 H 0.2205 0.1516 0.4310 0.040 Uiso 1 1 calc R . .
C41 C 0.1665(2) 0.2376(5) 0.4092(4) 0.0226(16) Uani 1 1 d . . .
H41 H 0.1622 0.2325 0.4565 0.027 Uiso 1 1 calc R . .
W2 W 0.397620(10) 0.10004(3) 0.370617(18) 0.02958(9) Uani 1 1 d . . .
P3 P 0.35303(6) 0.26310(16) 0.32096(11) 0.0252(4) Uani 1 1 d . . .
P4 P 0.37715(6) 0.15603(16) 0.48594(11) 0.0292(5) Uani 1 1 d . . .
C42 C 0.4553(5) 0.1968(12) 0.3581(9) 0.041(3) Uani 0.548(10) 1 d PDU A 1
H42 H 0.4611 0.2722 0.3584 0.049 Uiso 0.548(10) 1 calc PR A 1
C43 C 0.4361(4) 0.1514(13) 0.2893(8) 0.044(3) Uani 0.548(10) 1 d PDU A 1
H43 H 0.4316 0.2003 0.2495 0.052 Uiso 0.548(10) 1 calc PR A 1
C44 C 0.4227(5) 0.0431(14) 0.2718(7) 0.044(3) Uani 0.548(10) 1 d PDU A 1
H44 H 0.4108 0.0296 0.2218 0.053 Uiso 0.548(10) 1 calc PR A 1
C45 C 0.4248(6) -0.0493(12) 0.3193(9) 0.042(3) Uani 0.548(10) 1 d PDU A 1
H45 H 0.4159 -0.1165 0.2962 0.051 Uiso 0.548(10) 1 calc PR A 1
C46 C 0.4387(5) -0.0529(12) 0.3986(9) 0.044(3) Uani 0.548(10) 1 d PDU A 1
H46 H 0.4360 -0.1202 0.4212 0.053 Uiso 0.548(10) 1 calc PR A 1
C47 C 0.4563(5) 0.0372(14) 0.4464(7) 0.040(3) Uani 0.548(10) 1 d PDU A 1
H47 H 0.4613 0.0232 0.4969 0.048 Uiso 0.548(10) 1 calc PR A 1
C48 C 0.4669(5) 0.1429(14) 0.4273(8) 0.041(3) Uani 0.548(10) 1 d PDU A 1
H48 H 0.4840 0.1834 0.4654 0.049 Uiso 0.548(10) 1 calc PR A 1
C42B C 0.4653(6) 0.1782(14) 0.4064(11) 0.043(3) Uani 0.452(10) 1 d PDU A 2
H42B H 0.4764 0.2447 0.4279 0.051 Uiso 0.452(10) 1 calc PR A 2
C43B C 0.4519(5) 0.1754(14) 0.3290(11) 0.041(3) Uani 0.452(10) 1 d PDU A 2
H43B H 0.4552 0.2416 0.3055 0.050 Uiso 0.452(10) 1 calc PR A 2
C44B C 0.4344(6) 0.0889(16) 0.2814(9) 0.041(3) Uani 0.452(10) 1 d PDU A 2
H44B H 0.4270 0.1065 0.2312 0.049 Uiso 0.452(10) 1 calc PR A 2
C45B C 0.4262(8) -0.0217(16) 0.2990(9) 0.042(3) Uani 0.452(10) 1 d PDU A 2
H45B H 0.4174 -0.0697 0.2591 0.050 Uiso 0.452(10) 1 calc PR A 2
C46B C 0.4298(7) -0.0683(13) 0.3706(11) 0.044(3) Uani 0.452(10) 1 d PDU A 2
H46B H 0.4189 -0.1391 0.3719 0.053 Uiso 0.452(10) 1 calc PR A 2
C47B C 0.4482(6) -0.0188(17) 0.4401(9) 0.045(3) Uani 0.452(10) 1 d PDU A 2
H47B H 0.4505 -0.0640 0.4814 0.054 Uiso 0.452(10) 1 calc PR A 2
C48B C 0.4635(6) 0.0899(17) 0.4547(9) 0.042(3) Uani 0.452(10) 1 d PDU A 2
H48B H 0.4742 0.1060 0.5047 0.051 Uiso 0.452(10) 1 calc PR A 2
C49 C 0.3414(3) 0.0380(6) 0.3448(4) 0.036(2) Uani 1 1 d . A .
C50 C 0.3030(3) 0.0021(6) 0.3318(4) 0.036(2) Uani 1 1 d . . .
H50 H 0.2860 0.0353 0.3583 0.043 Uiso 1 1 calc R A .
C51 C 0.2843(3) -0.0852(6) 0.2795(4) 0.037(2) Uani 1 1 d . A .
C52 C 0.3047(3) -0.1319(7) 0.2317(4) 0.040(2) Uani 1 1 d . . .
H52 H 0.3313 -0.1076 0.2319 0.048 Uiso 1 1 calc R A .
C53 C 0.2867(3) -0.2133(7) 0.1840(5) 0.046(2) Uani 1 1 d . A .
H53 H 0.3017 -0.2460 0.1537 0.055 Uiso 1 1 calc R . .
C54 C 0.2465(3) -0.2486(7) 0.1794(5) 0.043(2) Uani 1 1 d . . .
H54 H 0.2342 -0.3032 0.1457 0.052 Uiso 1 1 calc R A .
C55 C 0.2253(3) -0.2008(7) 0.2261(5) 0.042(2) Uani 1 1 d . A .
H55 H 0.1982 -0.2232 0.2237 0.050 Uiso 1 1 calc R . .
C56 C 0.2433(3) -0.1215(6) 0.2756(5) 0.039(2) Uani 1 1 d . . .
H56 H 0.2286 -0.0908 0.3072 0.046 Uiso 1 1 calc R A .
C57 C 0.3136(2) 0.2411(6) 0.2329(4) 0.0255(17) Uani 1 1 d . . .
C58 C 0.3199(3) 0.1581(6) 0.1843(4) 0.036(2) Uani 1 1 d . . .
H58 H 0.3441 0.1158 0.1964 0.043 Uiso 1 1 calc R . .
C59 C 0.2908(3) 0.1391(7) 0.1193(4) 0.043(2) Uani 1 1 d . . .
H59 H 0.2955 0.0848 0.0870 0.052 Uiso 1 1 calc R . .
C60 C 0.2545(3) 0.1995(8) 0.1010(5) 0.049(3) Uani 1 1 d . . .
H60 H 0.2346 0.1843 0.0572 0.059 Uiso 1 1 calc R . .
C61 C 0.2476(3) 0.2823(8) 0.1474(4) 0.043(2) Uani 1 1 d . . .
H61 H 0.2237 0.3257 0.1342 0.052 Uiso 1 1 calc R . .
C62 C 0.2769(2) 0.3003(7) 0.2145(4) 0.0321(19) Uani 1 1 d . . .
H62 H 0.2716 0.3530 0.2474 0.039 Uiso 1 1 calc R . .
C63 C 0.3758(2) 0.3961(6) 0.3068(4) 0.0270(17) Uani 1 1 d . . .
C64 C 0.3633(2) 0.4544(6) 0.2405(4) 0.0303(18) Uani 1 1 d . . .
H64 H 0.3436 0.4246 0.2007 0.036 Uiso 1 1 calc R . .
C65 C 0.3811(2) 0.5597(6) 0.2342(5) 0.0351(19) Uani 1 1 d . . .
H65 H 0.3727 0.5991 0.1901 0.042 Uiso 1 1 calc R . .
C66 C 0.4103(3) 0.6040(7) 0.2920(5) 0.044(2) Uani 1 1 d . . .
H66 H 0.4217 0.6732 0.2870 0.053 Uiso 1 1 calc R . .
C67 C 0.4231(3) 0.5467(8) 0.3577(5) 0.056(3) Uani 1 1 d . . .
H67 H 0.4428 0.5772 0.3974 0.067 Uiso 1 1 calc R . .
C68 C 0.4062(3) 0.4413(7) 0.3645(5) 0.041(2) Uani 1 1 d . . .
H68 H 0.4155 0.4015 0.4082 0.049 Uiso 1 1 calc R . .
C69 C 0.3219(2) 0.2939(6) 0.3874(4) 0.0268(17) Uani 1 1 d . . .
H69A H 0.3097 0.3671 0.3774 0.032 Uiso 1 1 calc R . .
H69B H 0.2994 0.2406 0.3812 0.032 Uiso 1 1 calc R . .
C70 C 0.3488(2) 0.2892(6) 0.4678(4) 0.0278(17) Uani 1 1 d . . .
H70A H 0.3313 0.2976 0.5018 0.033 Uiso 1 1 calc R . .
H70B H 0.3686 0.3500 0.4763 0.033 Uiso 1 1 calc R . .
C71 C 0.4182(3) 0.1790(7) 0.5698(4) 0.036(2) Uani 1 1 d . . .
C72 C 0.4318(3) 0.0907(8) 0.6187(5) 0.048(2) Uani 1 1 d . . .
H72 H 0.4179 0.0231 0.6112 0.057 Uiso 1 1 calc R . .
C73 C 0.4666(3) 0.1048(8) 0.6793(4) 0.046(2) Uani 1 1 d . . .
H73 H 0.4754 0.0466 0.7123 0.056 Uiso 1 1 calc R . .
C74 C 0.4878(3) 0.2035(8) 0.6903(5) 0.048(2) Uani 1 1 d . . .
H74 H 0.5110 0.2114 0.7301 0.058 Uiso 1 1 calc R . .
C75 C 0.4750(3) 0.2908(8) 0.6427(5) 0.046(2) Uani 1 1 d . . .
H75 H 0.4893 0.3578 0.6502 0.055 Uiso 1 1 calc R . .
C76 C 0.4402(3) 0.2780(7) 0.5828(4) 0.044(2) Uani 1 1 d . . .
H76 H 0.4316 0.3373 0.5507 0.052 Uiso 1 1 calc R . .
C77 C 0.3410(2) 0.0584(6) 0.5108(4) 0.0286(18) Uani 1 1 d . . .
C78 C 0.3494(3) -0.0538(7) 0.5074(5) 0.050(2) Uani 1 1 d . . .
H78 H 0.3744 -0.0769 0.4984 0.060 Uiso 1 1 calc R . .
C79 C 0.3207(4) -0.1316(7) 0.5175(5) 0.061(3) Uani 1 1 d . . .
H79 H 0.3268 -0.2067 0.5155 0.073 Uiso 1 1 calc R . .
C80 C 0.2830(3) -0.1002(7) 0.5304(5) 0.051(3) Uani 1 1 d . . .
H80 H 0.2629 -0.1526 0.5329 0.061 Uiso 1 1 calc R . .
C81 C 0.2764(3) 0.0091(6) 0.5393(4) 0.0364(19) Uani 1 1 d . . .
H81 H 0.2525 0.0318 0.5523 0.044 Uiso 1 1 calc R . .
C82 C 0.3053(2) 0.0881(6) 0.5291(4) 0.0309(18) Uani 1 1 d . . .
H82 H 0.3000 0.1628 0.5351 0.037 Uiso 1 1 calc R . .
P5 P 0.13620(6) 0.52143(16) 0.09907(10) 0.0242(4) Uani 1 1 d . . .
F1 F 0.14017(16) 0.4114(4) 0.0540(3) 0.0512(13) Uani 1 1 d . . .
F2 F 0.17132(15) 0.5807(4) 0.0689(3) 0.0536(14) Uani 1 1 d . . .
F3 F 0.10139(13) 0.5682(4) 0.0302(2) 0.0389(11) Uani 1 1 d . . .
F4 F 0.13225(16) 0.6304(3) 0.1451(3) 0.0491(13) Uani 1 1 d . . .
F5 F 0.10034(14) 0.4645(4) 0.1302(2) 0.0391(11) Uani 1 1 d . . .
F6 F 0.17059(14) 0.4759(4) 0.1687(2) 0.0438(12) Uani 1 1 d . . .
P6 P 0.42839(8) 0.6502(2) 0.58457(14) 0.0484(6) Uani 1 1 d . . .
F7 F 0.46702(19) 0.6438(5) 0.5468(3) 0.0812(19) Uani 1 1 d . . .
F8 F 0.41014(19) 0.5392(4) 0.5402(3) 0.0769(19) Uani 1 1 d . . .
F9 F 0.4042(2) 0.7202(4) 0.5155(3) 0.0791(19) Uani 1 1 d . . .
F10 F 0.39025(18) 0.6536(6) 0.6196(4) 0.093(2) Uani 1 1 d . . .
F11 F 0.44687(17) 0.7627(5) 0.6256(3) 0.0774(18) Uani 1 1 d . . .
F12 F 0.45491(18) 0.5790(6) 0.6497(3) 0.0805(19) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C8 W1 C1 132.7(2) . . ?
C8 W1 C5 124.9(2) . . ?
C1 W1 C5 87.8(2) . . ?
C8 W1 C3 93.9(2) . . ?
C1 W1 C3 66.4(2) . . ?
C5 W1 C3 66.8(2) . . ?
C8 W1 C2 106.1(2) . . ?
C1 W1 C2 35.7(2) . . ?
C5 W1 C2 86.9(2) . . ?
C3 W1 C2 35.0(2) . . ?
C8 W1 C4 101.4(2) . . ?
C1 W1 C4 86.7(2) . . ?
C5 W1 C4 35.6(2) . . ?
C3 W1 C4 35.4(2) . . ?
C2 W1 C4 66.2(2) . . ?
C8 W1 C6 158.1(2) . . ?
C1 W1 C6 66.7(2) . . ?
C5 W1 C6 35.9(2) . . ?
C3 W1 C6 85.6(2) . . ?
C2 W1 C6 85.9(2) . . ?
C4 W1 C6 66.3(2) . . ?
C8 W1 C7 166.7(2) . . ?
C1 W1 C7 35.5(2) . . ?
C5 W1 C7 66.8(2) . . ?
C3 W1 C7 85.1(2) . . ?
C2 W1 C7 66.0(2) . . ?
C4 W1 C7 85.5(2) . . ?
C6 W1 C7 35.1(2) . . ?
C8 W1 P2 81.03(19) . . ?
C1 W1 P2 83.38(18) . . ?
C5 W1 P2 149.43(16) . . ?
C3 W1 P2 133.48(17) . . ?
C2 W1 P2 102.06(17) . . ?
C4 W1 P2 168.29(17) . . ?
C6 W1 P2 114.86(17) . . ?
C7 W1 P2 90.02(17) . . ?
C8 W1 P1 78.40(19) . . ?
C1 W1 P1 141.55(17) . . ?
C5 W1 P1 89.01(17) . . ?
C3 W1 P1 144.37(17) . . ?
C2 W1 P1 175.17(16) . . ?
C4 W1 P1 111.50(17) . . ?
C6 W1 P1 89.26(16) . . ?
C7 W1 P1 109.88(17) . . ?
P2 W1 P1 80.19(6) . . ?
C28 P1 C16 103.5(3) . . ?
C28 P1 C22 104.6(3) . . ?
C16 P1 C22 101.7(3) . . ?
C28 P1 W1 107.4(2) . . ?
C16 P1 W1 119.7(2) . . ?
C22 P1 W1 118.2(2) . . ?
C36 P2 C29 107.3(3) . . ?
C36 P2 C30 105.6(3) . . ?
C29 P2 C30 100.2(3) . . ?
C36 P2 W1 112.0(2) . . ?
C29 P2 W1 109.3(2) . . ?
C30 P2 W1 121.1(2) . . ?
C2 C1 C7 129.2(6) . . ?
C2 C1 W1 74.0(4) . . ?
C7 C1 W1 75.3(4) . . ?
C2 C1 H1 115.4 . . ?
C7 C1 H1 115.4 . . ?
W1 C1 H1 128.2 . . ?
C3 C2 C1 127.7(6) . . ?
C3 C2 W1 72.3(4) . . ?
C1 C2 W1 70.3(4) . . ?
C3 C2 H2 116.1 . . ?
C1 C2 H2 116.1 . . ?
W1 C2 H2 136.6 . . ?
C2 C3 C4 129.8(6) . . ?
C2 C3 W1 72.7(4) . . ?
C4 C3 W1 72.6(4) . . ?
C2 C3 H3 115.1 . . ?
C4 C3 H3 115.1 . . ?
W1 C3 H3 134.6 . . ?
C3 C4 C5 127.9(6) . . ?
C3 C4 W1 72.0(4) . . ?
C5 C4 W1 70.6(4) . . ?
C3 C4 H4 116.0 . . ?
C5 C4 H4 116.0 . . ?
W1 C4 H4 136.9 . . ?
C4 C5 C6 128.3(6) . . ?
C4 C5 W1 73.8(4) . . ?
C6 C5 W1 73.9(4) . . ?
C4 C5 H5 115.9 . . ?
C6 C5 H5 115.9 . . ?
W1 C5 H5 129.5 . . ?
C7 C6 C5 128.4(6) . . ?
C7 C6 W1 73.1(4) . . ?
C5 C6 W1 70.2(4) . . ?
C7 C6 H6 115.8 . . ?
C5 C6 H6 115.8 . . ?
W1 C6 H6 136.3 . . ?
C1 C7 C6 127.8(6) . . ?
C1 C7 W1 69.3(4) . . ?
C6 C7 W1 71.8(4) . . ?
C1 C7 H7 116.1 . . ?
C6 C7 H7 116.1 . . ?
W1 C7 H7 139.2 . . ?
C9 C8 W1 172.4(5) . . ?
C8 C9 C10 128.8(6) . . ?
C8 C9 H9 115.6 . . ?
C10 C9 H9 115.6 . . ?
C11 C10 C15 118.4(6) . . ?
C11 C10 C9 122.1(6) . . ?
C15 C10 C9 119.5(6) . . ?
C12 C11 C10 120.6(7) . . ?
C12 C11 H11 119.7 . . ?
C10 C11 H11 119.7 . . ?
C13 C12 C11 120.3(7) . . ?
C13 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
C14 C13 C12 119.6(7) . . ?
C14 C13 H13 120.2 . . ?
C12 C13 H13 120.2 . . ?
C13 C14 C15 120.9(7) . . ?
C13 C14 H14 119.5 . . ?
C15 C14 H14 119.5 . . ?
C14 C15 C10 120.2(7) . . ?
C14 C15 H15 119.9 . . ?
C10 C15 H15 119.9 . . ?
C21 C16 C17 118.5(6) . . ?
C21 C16 P1 118.7(5) . . ?
C17 C16 P1 122.8(5) . . ?
C18 C17 C16 121.0(7) . . ?
C18 C17 H17 119.5 . . ?
C16 C17 H17 119.5 . . ?
C19 C18 C17 119.1(7) . . ?
C19 C18 H18 120.5 . . ?
C17 C18 H18 120.5 . . ?
C20 C19 C18 120.9(7) . . ?
C20 C19 H19 119.6 . . ?
C18 C19 H19 119.6 . . ?
C19 C20 C21 119.7(7) . . ?
C19 C20 H20 120.2 . . ?
C21 C20 H20 120.2 . . ?
C20 C21 C16 120.8(7) . . ?
C20 C21 H21 119.6 . . ?
C16 C21 H21 119.6 . . ?
C27 C22 C23 119.6(7) . . ?
C27 C22 P1 122.3(5) . . ?
C23 C22 P1 118.1(5) . . ?
C22 C23 C24 119.8(7) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 H23 120.1 . . ?
C25 C24 C23 120.2(6) . . ?
C25 C24 H24 119.9 . . ?
C23 C24 H24 119.9 . . ?
C24 C25 C26 120.2(6) . . ?
C24 C25 H25 119.9 . . ?
C26 C25 H25 119.9 . . ?
C25 C26 C27 120.5(7) . . ?
C25 C26 H26 119.8 . . ?
C27 C26 H26 119.8 . . ?
C22 C27 C26 119.7(6) . . ?
C22 C27 H27 120.1 . . ?
C26 C27 H27 120.1 . . ?
C29 C28 P1 112.1(4) . . ?
C29 C28 H28A 109.2 . . ?
P1 C28 H28A 109.2 . . ?
C29 C28 H28B 109.2 . . ?
P1 C28 H28B 109.2 . . ?
H28A C28 H28B 107.9 . . ?
C28 C29 P2 112.6(4) . . ?
C28 C29 H29A 109.1 . . ?
P2 C29 H29A 109.1 . . ?
C28 C29 H29B 109.1 . . ?
P2 C29 H29B 109.1 . . ?
H29A C29 H29B 107.8 . . ?
C35 C30 C31 118.4(6) . . ?
C35 C30 P2 122.1(5) . . ?
C31 C30 P2 119.5(5) . . ?
C32 C31 C30 121.3(6) . . ?
C32 C31 H31 119.4 . . ?
C30 C31 H31 119.4 . . ?
C31 C32 C33 119.9(6) . . ?
C31 C32 H32 120.1 . . ?
C33 C32 H32 120.1 . . ?
C34 C33 C32 120.1(7) . . ?
C34 C33 H33 120.0 . . ?
C32 C33 H33 120.0 . . ?
C33 C34 C35 120.3(7) . . ?
C33 C34 H34 119.9 . . ?
C35 C34 H34 119.9 . . ?
C30 C35 C34 120.0(6) . . ?
C30 C35 H35 120.0 . . ?
C34 C35 H35 120.0 . . ?
C41 C36 C37 119.0(6) . . ?
C41 C36 P2 119.9(5) . . ?
C37 C36 P2 120.8(5) . . ?
C38 C37 C36 120.2(7) . . ?
C38 C37 H37 119.9 . . ?
C36 C37 H37 119.9 . . ?
C39 C38 C37 120.2(7) . . ?
C39 C38 H38 119.9 . . ?
C37 C38 H38 119.9 . . ?
C40 C39 C38 120.3(7) . . ?
C40 C39 H39 119.8 . . ?
C38 C39 H39 119.8 . . ?
C39 C40 C41 120.7(7) . . ?
C39 C40 H40 119.7 . . ?
C41 C40 H40 119.7 . . ?
C36 C41 C40 119.5(7) . . ?
C36 C41 H41 120.3 . . ?
C40 C41 H41 120.3 . . ?
C49 W2 C47 130.8(5) . . ?
C49 W2 C46 103.1(5) . . ?
C47 W2 C46 37.1(4) . . ?
C49 W2 C44 101.8(5) . . ?
C47 W2 C44 88.3(5) . . ?
C46 W2 C44 68.0(5) . . ?
C49 W2 C44B 116.6(5) . . ?
C47 W2 C44B 84.2(6) . . ?
C46 W2 C44B 73.8(6) . . ?
C44 W2 C44B 16.7(4) . . ?
C49 W2 C45 92.8(5) . . ?
C47 W2 C45 68.2(5) . . ?
C46 W2 C45 36.3(4) . . ?
C44 W2 C45 35.6(4) . . ?
C44B W2 C45 47.7(6) . . ?
C49 W2 C43B 147.4(5) . . ?
C47 W2 C43B 73.5(6) . . ?
C46 W2 C43B 85.5(6) . . ?
C44 W2 C43B 51.8(5) . . ?
C44B W2 C43B 35.2(4) . . ?
C45 W2 C43B 75.6(6) . . ?
C49 W2 C47B 114.3(6) . . ?
C47 W2 C47B 18.1(4) . . ?
C46 W2 C47B 21.5(5) . . ?
C44 W2 C47B 84.6(6) . . ?
C44B W2 C47B 85.7(6) . . ?
C45 W2 C47B 56.8(6) . . ?
C43B W2 C47B 85.1(6) . . ?
C49 W2 C42 159.3(5) . . ?
C47 W2 C42 67.7(5) . . ?
C46 W2 C42 88.1(5) . . ?
C44 W2 C42 65.9(5) . . ?
C44B W2 C42 49.5(5) . . ?
C45 W2 C42 86.1(5) . . ?
C43B W2 C42 14.5(5) . . ?
C47B W2 C42 82.3(6) . . ?
C49 W2 C48 165.2(5) . . ?
C47 W2 C48 35.4(4) . . ?
C46 W2 C48 67.0(5) . . ?
C44 W2 C48 85.0(5) . . ?
C44B W2 C48 72.4(6) . . ?
C45 W2 C48 85.2(6) . . ?
C43B W2 C48 45.9(5) . . ?
C47B W2 C48 52.8(5) . . ?
C42 W2 C48 35.3(4) . . ?
C49 W2 C43 126.6(5) . . ?
C47 W2 C43 88.1(5) . . ?
C46 W2 C43 88.2(5) . . ?
C44 W2 C43 35.1(4) . . ?
C44B W2 C43 19.2(5) . . ?
C45 W2 C43 66.4(5) . . ?
C43B W2 C43 21.0(4) . . ?
C47B W2 C43 95.1(6) . . ?
C42 W2 C43 35.2(4) . . ?
C48 W2 C43 65.8(5) . . ?
C49 W2 C46B 94.5(5) . . ?
C47 W2 C46B 50.7(5) . . ?
C46 W2 C46B 14.1(4) . . ?
C44 W2 C46B 58.3(5) . . ?
C44B W2 C46B 67.4(6) . . ?
C45 W2 C46B 23.9(5) . . ?
C43B W2 C46B 86.8(6) . . ?
C47B W2 C46B 35.6(4) . . ?
C42 W2 C46B 92.8(6) . . ?
C48 W2 C46B 77.8(6) . . ?
C43 W2 C46B 84.3(6) . . ?
C63 P3 C69 104.2(3) . . ?
C63 P3 C57 103.1(3) . . ?
C69 P3 C57 103.5(3) . . ?
C63 P3 W2 121.2(3) . . ?
C69 P3 W2 107.0(2) . . ?
C57 P3 W2 116.1(2) . . ?
C71 P4 C77 106.2(4) . . ?
C71 P4 C70 105.2(4) . . ?
C77 P4 C70 105.6(3) . . ?
C71 P4 W2 118.1(3) . . ?
C77 P4 W2 112.5(3) . . ?
C70 P4 W2 108.3(2) . . ?
C43 C42 C48 128.1(13) . . ?
C43 C42 W2 72.3(7) . . ?
C48 C42 W2 73.5(8) . . ?
C43 C42 H42 115.9 . . ?
C48 C42 H42 115.9 . . ?
W2 C42 H42 132.3 . . ?
C44 C43 C42 129.1(13) . . ?
C44 C43 W2 72.8(7) . . ?
C42 C43 W2 72.6(7) . . ?
C44 C43 H43 115.5 . . ?
C42 C43 H43 115.5 . . ?
W2 C43 H43 133.8 . . ?
C43 C44 C45 129.1(12) . . ?
C43 C44 W2 72.1(7) . . ?
C45 C44 W2 72.8(8) . . ?
C43 C44 H44 115.5 . . ?
C45 C44 H44 115.5 . . ?
W2 C44 H44 134.6 . . ?
C44 C45 C46 128.4(12) . . ?
C44 C45 W2 71.7(8) . . ?
C46 C45 W2 69.9(8) . . ?
C44 C45 H45 115.8 . . ?
C46 C45 H45 115.8 . . ?
W2 C45 H45 139.1 . . ?
C47 C46 C45 126.4(12) . . ?
C47 C46 W2 69.8(8) . . ?
C45 C46 W2 73.8(9) . . ?
C47 C46 H46 116.8 . . ?
C45 C46 H46 116.8 . . ?
W2 C46 H46 133.8 . . ?
C48 C47 C46 128.7(12) . . ?
C48 C47 W2 76.4(9) . . ?
C46 C47 W2 73.1(8) . . ?
C48 C47 H47 115.7 . . ?
C46 C47 H47 115.7 . . ?
W2 C47 H47 127.4 . . ?
C42 C48 C47 128.9(13) . . ?
C42 C48 W2 71.1(8) . . ?
C47 C48 W2 68.2(8) . . ?
C42 C48 H48 115.5 . . ?
C47 C48 H48 115.5 . . ?
W2 C48 H48 143.6 . . ?
C43B C42B C48B 126.0(14) . . ?
C43B C42B W2 70.7(8) . . ?
C48B C42B W2 71.8(10) . . ?
C43B C42B H42B 117.0 . . ?
C48B C42B H42B 117.0 . . ?
W2 C42B H42B 135.1 . . ?
C44B C43B C42B 130.2(14) . . ?
C44B C43B W2 71.6(8) . . ?
C42B C43B W2 74.7(9) . . ?
C44B C43B H43B 114.9 . . ?
C42B C43B H43B 114.9 . . ?
W2 C43B H43B 133.4 . . ?
C43B C44B C45B 129.0(13) . . ?
C43B C44B W2 73.2(8) . . ?
C45B C44B W2 73.7(10) . . ?
C43B C44B H44B 115.5 . . ?
C45B C44B H44B 115.5 . . ?
W2 C44B H44B 131.4 . . ?
C44B C45B C46B 127.8(13) . . ?
C44B C45B W2 70.8(10) . . ?
C46B C45B W2 70.4(10) . . ?
C44B C45B H45B 116.1 . . ?
C46B C45B H45B 116.1 . . ?
W2 C45B H45B 139.1 . . ?
C47B C46B C45B 127.2(13) . . ?
C47B C46B W2 73.8(10) . . ?
C45B C46B W2 73.9(11) . . ?
C47B C46B H46B 116.4 . . ?
C45B C46B H46B 116.4 . . ?
W2 C46B H46B 128.8 . . ?
C48B C47B C46B 128.3(14) . . ?
C48B C47B W2 73.1(10) . . ?
C46B C47B W2 70.6(10) . . ?
C48B C47B H47B 115.8 . . ?
C46B C47B H47B 115.8 . . ?
W2 C47B H47B 135.6 . . ?
C42B C48B C47B 130.8(14) . . ?
C42B C48B W2 73.6(10) . . ?
C47B C48B W2 71.9(10) . . ?
C42B C48B H48B 114.6 . . ?
C47B C48B H48B 114.6 . . ?
W2 C48B H48B 135.5 . . ?
C50 C49 W2 175.1(7) . . ?
C49 C50 C51 126.2(8) . . ?
C49 C50 H50 116.9 . . ?
C51 C50 H50 116.9 . . ?
C52 C51 C56 118.0(8) . . ?
C52 C51 C50 122.2(8) . . ?
C56 C51 C50 119.7(8) . . ?
C53 C52 C51 120.9(8) . . ?
C53 C52 H52 119.5 . . ?
C51 C52 H52 119.5 . . ?
C52 C53 C54 121.4(9) . . ?
C52 C53 H53 119.3 . . ?
C54 C53 H53 119.3 . . ?
C55 C54 C53 118.3(8) . . ?
C55 C54 H54 120.9 . . ?
C53 C54 H54 120.9 . . ?
C56 C55 C54 121.0(8) . . ?
C56 C55 H55 119.5 . . ?
C54 C55 H55 119.5 . . ?
C55 C56 C51 120.3(8) . . ?
C55 C56 H56 119.8 . . ?
C51 C56 H56 119.8 . . ?
C62 C57 C58 118.5(7) . . ?
C62 C57 P3 122.2(6) . . ?
C58 C57 P3 119.3(6) . . ?
C59 C58 C57 120.3(8) . . ?
C59 C58 H58 119.8 . . ?
C57 C58 H58 119.8 . . ?
C58 C59 C60 120.8(8) . . ?
C58 C59 H59 119.6 . . ?
C60 C59 H59 119.6 . . ?
C59 C60 C61 120.1(8) . . ?
C59 C60 H60 119.9 . . ?
C61 C60 H60 119.9 . . ?
C60 C61 C62 119.1(8) . . ?
C60 C61 H61 120.5 . . ?
C62 C61 H61 120.5 . . ?
C57 C62 C61 121.1(8) . . ?
C57 C62 H62 119.5 . . ?
C61 C62 H62 119.5 . . ?
C68 C63 C64 119.0(7) . . ?
C68 C63 P3 118.7(6) . . ?
C64 C63 P3 122.2(6) . . ?
C63 C64 C65 119.3(7) . . ?
C63 C64 H64 120.4 . . ?
C65 C64 H64 120.4 . . ?
C66 C65 C64 121.0(8) . . ?
C66 C65 H65 119.5 . . ?
C64 C65 H65 119.5 . . ?
C65 C66 C67 120.2(8) . . ?
C65 C66 H66 119.9 . . ?
C67 C66 H66 119.9 . . ?
C66 C67 C68 119.5(8) . . ?
C66 C67 H67 120.3 . . ?
C68 C67 H67 120.3 . . ?
C63 C68 C67 121.0(8) . . ?
C63 C68 H68 119.5 . . ?
C67 C68 H68 119.5 . . ?
C70 C69 P3 111.0(5) . . ?
C70 C69 H69A 109.4 . . ?
P3 C69 H69A 109.4 . . ?
C70 C69 H69B 109.4 . . ?
P3 C69 H69B 109.4 . . ?
H69A C69 H69B 108.0 . . ?
C69 C70 P4 110.7(5) . . ?
C69 C70 H70A 109.5 . . ?
P4 C70 H70A 109.5 . . ?
C69 C70 H70B 109.5 . . ?
P4 C70 H70B 109.5 . . ?
H70A C70 H70B 108.1 . . ?
C76 C71 C72 118.1(8) . . ?
C76 C71 P4 121.9(6) . . ?
C72 C71 P4 119.5(7) . . ?
C71 C72 C73 119.6(9) . . ?
C71 C72 H72 120.2 . . ?
C73 C72 H72 120.2 . . ?
C74 C73 C72 120.7(9) . . ?
C74 C73 H73 119.6 . . ?
C72 C73 H73 119.6 . . ?
C75 C74 C73 120.3(9) . . ?
C75 C74 H74 119.8 . . ?
C73 C74 H74 119.8 . . ?
C74 C75 C76 119.4(9) . . ?
C74 C75 H75 120.3 . . ?
C76 C75 H75 120.3 . . ?
C71 C76 C75 121.8(8) . . ?
C71 C76 H76 119.1 . . ?
C75 C76 H76 119.1 . . ?
C82 C77 C78 117.8(8) . . ?
C82 C77 P4 124.4(6) . . ?
C78 C77 P4 117.7(6) . . ?
C79 C78 C77 120.0(9) . . ?
C79 C78 H78 120.0 . . ?
C77 C78 H78 120.0 . . ?
C78 C79 C80 121.5(9) . . ?
C78 C79 H79 119.3 . . ?
C80 C79 H79 119.3 . . ?
C81 C80 C79 118.0(8) . . ?
C81 C80 H80 121.0 . . ?
C79 C80 H80 121.0 . . ?
C80 C81 C82 120.6(8) . . ?
C80 C81 H81 119.7 . . ?
C82 C81 H81 119.7 . . ?
C77 C82 C81 121.7(7) . . ?
C77 C82 H82 119.1 . . ?
C81 C82 H82 119.1 . . ?
F2 P5 F4 89.3(3) . . ?
F2 P5 F1 91.3(3) . . ?
F4 P5 F1 179.2(3) . . ?
F2 P5 F6 90.2(3) . . ?
F4 P5 F6 89.2(3) . . ?
F1 P5 F6 90.2(3) . . ?
F2 P5 F3 90.2(2) . . ?
F4 P5 F3 90.0(3) . . ?
F1 P5 F3 90.6(3) . . ?
F6 P5 F3 179.1(3) . . ?
F2 P5 F5 178.5(3) . . ?
F4 P5 F5 89.3(3) . . ?
F1 P5 F5 90.1(3) . . ?
F6 P5 F5 90.2(2) . . ?
F3 P5 F5 89.3(2) . . ?
F12 P6 F10 92.7(4) . . ?
F12 P6 F9 175.6(4) . . ?
F10 P6 F9 91.6(4) . . ?
F12 P6 F11 91.2(4) . . ?
F10 P6 F11 91.9(4) . . ?
F9 P6 F11 89.6(3) . . ?
F12 P6 F8 90.4(3) . . ?
F10 P6 F8 89.7(4) . . ?
F9 P6 F8 88.7(3) . . ?
F11 P6 F8 177.7(4) . . ?
F12 P6 F7 87.6(4) . . ?
F10 P6 F7 178.3(4) . . ?
F9 P6 F7 88.1(4) . . ?
F11 P6 F7 89.9(3) . . ?
F8 P6 F7 88.5(4) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W1 C8 1.941(7) . ?
W1 C1 2.280(6) . ?
W1 C5 2.290(6) . ?
W1 C3 2.323(6) . ?
W1 C2 2.328(6) . ?
W1 C4 2.331(6) . ?
W1 C6 2.339(6) . ?
W1 C7 2.357(6) . ?
W1 P2 2.5032(18) . ?
W1 P1 2.5037(18) . ?
P1 C28 1.816(6) . ?
P1 C16 1.818(7) . ?
P1 C22 1.844(7) . ?
P2 C36 1.823(7) . ?
P2 C29 1.840(6) . ?
P2 C30 1.840(6) . ?
C1 C2 1.412(9) . ?
C1 C7 1.414(9) . ?
C1 H1 0.9300 . ?
C2 C3 1.397(9) . ?
C2 H2 0.9300 . ?
C3 C4 1.414(9) . ?
C3 H3 0.9300 . ?
C4 C5 1.412(9) . ?
C4 H4 0.9300 . ?
C5 C6 1.426(8) . ?
C5 H5 0.9300 . ?
C6 C7 1.415(9) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C9 1.323(9) . ?
C9 C10 1.463(9) . ?
C9 H9 0.9300 . ?
C10 C11 1.394(9) . ?
C10 C15 1.398(10) . ?
C11 C12 1.386(10) . ?
C11 H11 0.9300 . ?
C12 C13 1.386(11) . ?
C12 H12 0.9300 . ?
C13 C14 1.366(11) . ?
C13 H13 0.9300 . ?
C14 C15 1.388(10) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 C21 1.386(9) . ?
C16 C17 1.386(9) . ?
C17 C18 1.386(9) . ?
C17 H17 0.9300 . ?
C18 C19 1.380(10) . ?
C18 H18 0.9300 . ?
C19 C20 1.369(10) . ?
C19 H19 0.9300 . ?
C20 C21 1.385(9) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 C27 1.386(9) . ?
C22 C23 1.391(9) . ?
C23 C24 1.402(9) . ?
C23 H23 0.9300 . ?
C24 C25 1.366(10) . ?
C24 H24 0.9300 . ?
C25 C26 1.378(9) . ?
C25 H25 0.9300 . ?
C26 C27 1.395(9) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 C29 1.532(9) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 C35 1.393(9) . ?
C30 C31 1.406(9) . ?
C31 C32 1.373(9) . ?
C31 H31 0.9300 . ?
C32 C33 1.384(10) . ?
C32 H32 0.9300 . ?
C33 C34 1.382(10) . ?
C33 H33 0.9300 . ?
C34 C35 1.397(9) . ?
C34 H34 0.9300 . ?
C35 H35 0.9300 . ?
C36 C41 1.387(9) . ?
C36 C37 1.406(9) . ?
C37 C38 1.375(9) . ?
C37 H37 0.9300 . ?
C38 C39 1.373(10) . ?
C38 H38 0.9300 . ?
C39 C40 1.367(10) . ?
C39 H39 0.9300 . ?
C40 C41 1.394(10) . ?
C40 H40 0.9300 . ?
C41 H41 0.9300 . ?
W2 C49 1.957(9) . ?
W2 C47 2.232(15) . ?
W2 C46 2.275(15) . ?
W2 C44 2.312(14) . ?
W2 C44B 2.303(17) . ?
W2 C45 2.326(17) . ?
W2 C43B 2.323(17) . ?
W2 C47B 2.337(17) . ?
W2 C42 2.306(15) . ?
W2 C48 2.337(16) . ?
W2 C43 2.302(13) . ?
W2 C46B 2.295(19) . ?
P3 C63 1.822(7) . ?
P3 C69 1.842(7) . ?
P3 C57 1.843(7) . ?
P4 C71 1.818(8) . ?
P4 C77 1.824(8) . ?
P4 C70 1.849(7) . ?
C42 C43 1.392(15) . ?
C42 C48 1.409(15) . ?
C42 H42 0.9300 . ?
C43 C44 1.391(15) . ?
C43 H43 0.9300 . ?
C44 C45 1.416(15) . ?
C44 H44 0.9300 . ?
C45 C46 1.433(14) . ?
C45 H45 0.9300 . ?
C46 C47 1.433(15) . ?
C46 H46 0.9300 . ?
C47 C48 1.393(15) . ?
C47 H47 0.9300 . ?
C48 H48 0.9300 . ?
C42B C43B 1.399(16) . ?
C42B C48B 1.406(16) . ?
C42B H42B 0.9300 . ?
C43B C44B 1.398(16) . ?
C43B H43B 0.9300 . ?
C44B C45B 1.417(16) . ?
C44B H44B 0.9300 . ?
C45B C46B 1.425(15) . ?
C45B H45B 0.9300 . ?
C46B C47B 1.418(16) . ?
C46B H46B 0.9300 . ?
C47B C48B 1.408(16) . ?
C47B H47B 0.9300 . ?
C48B H48B 0.9300 . ?
C49 C50 1.313(11) . ?
C50 C51 1.462(11) . ?
C50 H50 0.9300 . ?
C51 C52 1.370(11) . ?
C51 C56 1.417(11) . ?
C52 C53 1.358(11) . ?
C52 H52 0.9300 . ?
C53 C54 1.384(11) . ?
C53 H53 0.9300 . ?
C54 C55 1.379(11) . ?
C54 H54 0.9300 . ?
C55 C56 1.359(11) . ?
C55 H55 0.9300 . ?
C56 H56 0.9300 . ?
C57 C62 1.379(10) . ?
C57 C58 1.401(10) . ?
C58 C59 1.367(11) . ?
C58 H58 0.9300 . ?
C59 C60 1.376(12) . ?
C59 H59 0.9300 . ?
C60 C61 1.379(12) . ?
C60 H60 0.9300 . ?
C61 C62 1.395(10) . ?
C61 H61 0.9300 . ?
C62 H62 0.9300 . ?
C63 C68 1.388(10) . ?
C63 C64 1.391(10) . ?
C64 C65 1.417(10) . ?
C64 H64 0.9300 . ?
C65 C66 1.365(11) . ?
C65 H65 0.9300 . ?
C66 C67 1.377(12) . ?
C66 H66 0.9300 . ?
C67 C68 1.408(11) . ?
C67 H67 0.9300 . ?
C68 H68 0.9300 . ?
C69 C70 1.542(9) . ?
C69 H69A 0.9700 . ?
C69 H69B 0.9700 . ?
C70 H70A 0.9700 . ?
C70 H70B 0.9700 . ?
C71 C76 1.389(11) . ?
C71 C72 1.400(11) . ?
C72 C73 1.410(12) . ?
C72 H72 0.9300 . ?
C73 C74 1.371(12) . ?
C73 H73 0.9300 . ?
C74 C75 1.373(12) . ?
C74 H74 0.9300 . ?
C75 C76 1.399(11) . ?
C75 H75 0.9300 . ?
C76 H76 0.9300 . ?
C77 C82 1.363(10) . ?
C77 C78 1.387(11) . ?
C78 C79 1.385(12) . ?
C78 H78 0.9300 . ?
C79 C80 1.387(13) . ?
C79 H79 0.9300 . ?
C80 C81 1.353(11) . ?
C80 H80 0.9300 . ?
C81 C82 1.399(10) . ?
C81 H81 0.9300 . ?
C82 H82 0.9300 . ?
P5 F2 1.588(5) . ?
P5 F4 1.593(5) . ?
P5 F1 1.594(5) . ?
P5 F6 1.595(5) . ?
P5 F3 1.599(4) . ?
P5 F5 1.606(4) . ?
P6 F12 1.565(6) . ?
P6 F10 1.566(6) . ?
P6 F9 1.579(6) . ?
P6 F11 1.602(6) . ?
P6 F8 1.610(6) . ?
P6 F7 1.615(6) . ?
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C8 W1 P1 C28 63.0(3) . . . . ?
C1 W1 P1 C28 -85.8(4) . . . . ?
C5 W1 P1 C28 -171.1(3) . . . . ?
C3 W1 P1 C28 143.4(4) . . . . ?
C2 W1 P1 C28 -138(2) . . . . ?
C4 W1 P1 C28 160.8(3) . . . . ?
C6 W1 P1 C28 -135.2(3) . . . . ?
C7 W1 P1 C28 -106.2(3) . . . . ?
P2 W1 P1 C28 -19.8(2) . . . . ?
C8 W1 P1 C16 -54.4(3) . . . . ?
C1 W1 P1 C16 156.8(4) . . . . ?
C5 W1 P1 C16 71.5(3) . . . . ?
C3 W1 P1 C16 26.0(4) . . . . ?
C2 W1 P1 C16 105(2) . . . . ?
C4 W1 P1 C16 43.4(3) . . . . ?
C6 W1 P1 C16 107.4(3) . . . . ?
C7 W1 P1 C16 136.4(3) . . . . ?
P2 W1 P1 C16 -137.2(2) . . . . ?
C8 W1 P1 C22 -179.2(3) . . . . ?
C1 W1 P1 C22 32.0(4) . . . . ?
C5 W1 P1 C22 -53.2(3) . . . . ?
C3 W1 P1 C22 -98.7(4) . . . . ?
C2 W1 P1 C22 -20(2) . . . . ?
C4 W1 P1 C22 -81.4(3) . . . . ?
C6 W1 P1 C22 -17.3(3) . . . . ?
C7 W1 P1 C22 11.6(3) . . . . ?
P2 W1 P1 C22 98.1(3) . . . . ?
C8 W1 P2 C36 37.5(3) . . . . ?
C1 W1 P2 C36 -97.7(3) . . . . ?
C5 W1 P2 C36 -171.9(4) . . . . ?
C3 W1 P2 C36 -49.4(3) . . . . ?
C2 W1 P2 C36 -67.1(3) . . . . ?
C4 W1 P2 C36 -65.2(9) . . . . ?
C6 W1 P2 C36 -158.2(3) . . . . ?
C7 W1 P2 C36 -132.6(3) . . . . ?
P1 W1 P2 C36 117.2(2) . . . . ?
C8 W1 P2 C29 -81.3(3) . . . . ?
C1 W1 P2 C29 143.5(3) . . . . ?
C5 W1 P2 C29 69.3(4) . . . . ?
C3 W1 P2 C29 -168.2(3) . . . . ?
C2 W1 P2 C29 174.0(3) . . . . ?
C4 W1 P2 C29 176.0(9) . . . . ?
C6 W1 P2 C29 83.0(3) . . . . ?
C7 W1 P2 C29 108.6(3) . . . . ?
P1 W1 P2 C29 -1.6(2) . . . . ?
C8 W1 P2 C30 163.2(3) . . . . ?
C1 W1 P2 C30 28.0(3) . . . . ?
C5 W1 P2 C30 -46.2(4) . . . . ?
C3 W1 P2 C30 76.3(3) . . . . ?
C2 W1 P2 C30 58.5(3) . . . . ?
C4 W1 P2 C30 60.4(9) . . . . ?
C6 W1 P2 C30 -32.5(3) . . . . ?
C7 W1 P2 C30 -6.9(3) . . . . ?
P1 W1 P2 C30 -117.1(3) . . . . ?
C8 W1 C1 C2 50.2(5) . . . . ?
C5 W1 C1 C2 -87.8(4) . . . . ?
C3 W1 C1 C2 -22.2(4) . . . . ?
C4 W1 C1 C2 -52.2(4) . . . . ?
C6 W1 C1 C2 -117.8(4) . . . . ?
C7 W1 C1 C2 -139.1(6) . . . . ?
P2 W1 C1 C2 121.5(4) . . . . ?
P1 W1 C1 C2 -173.4(3) . . . . ?
C8 W1 C1 C7 -170.7(4) . . . . ?
C5 W1 C1 C7 51.3(4) . . . . ?
C3 W1 C1 C7 116.8(4) . . . . ?
C2 W1 C1 C7 139.1(6) . . . . ?
C4 W1 C1 C7 86.8(4) . . . . ?
C6 W1 C1 C7 21.3(4) . . . . ?
P2 W1 C1 C7 -99.4(4) . . . . ?
P1 W1 C1 C7 -34.4(5) . . . . ?
C7 C1 C2 C3 -8.0(12) . . . . ?
W1 C1 C2 C3 46.8(6) . . . . ?
C7 C1 C2 W1 -54.9(7) . . . . ?
C8 W1 C2 C3 73.3(4) . . . . ?
C1 W1 C2 C3 -142.7(6) . . . . ?
C5 W1 C2 C3 -52.2(4) . . . . ?
C4 W1 C2 C3 -22.3(4) . . . . ?
C6 W1 C2 C3 -88.2(4) . . . . ?
C7 W1 C2 C3 -118.2(4) . . . . ?
P2 W1 C2 C3 157.3(4) . . . . ?
P1 W1 C2 C3 -85(2) . . . . ?
C8 W1 C2 C1 -144.0(4) . . . . ?
C5 W1 C2 C1 90.5(4) . . . . ?
C3 W1 C2 C1 142.7(6) . . . . ?
C4 W1 C2 C1 120.4(4) . . . . ?
C6 W1 C2 C1 54.6(4) . . . . ?
C7 W1 C2 C1 24.6(4) . . . . ?
P2 W1 C2 C1 -60.0(4) . . . . ?
P1 W1 C2 C1 57(2) . . . . ?
C1 C2 C3 C4 2.1(12) . . . . ?
W1 C2 C3 C4 48.2(7) . . . . ?
C1 C2 C3 W1 -46.1(6) . . . . ?
C8 W1 C3 C2 -112.8(4) . . . . ?
C1 W1 C3 C2 22.7(4) . . . . ?
C5 W1 C3 C2 120.8(4) . . . . ?
C4 W1 C3 C2 143.1(6) . . . . ?
C6 W1 C3 C2 89.2(4) . . . . ?
C7 W1 C3 C2 54.0(4) . . . . ?
P2 W1 C3 C2 -31.4(5) . . . . ?
P1 W1 C3 C2 171.7(3) . . . . ?
C8 W1 C3 C4 104.1(4) . . . . ?
C1 W1 C3 C4 -120.5(4) . . . . ?
C5 W1 C3 C4 -22.3(4) . . . . ?
C2 W1 C3 C4 -143.1(6) . . . . ?
C6 W1 C3 C4 -54.0(4) . . . . ?
C7 W1 C3 C4 -89.2(4) . . . . ?
P2 W1 C3 C4 -174.5(3) . . . . ?
P1 W1 C3 C4 28.6(5) . . . . ?
C2 C3 C4 C5 -2.4(12) . . . . ?
W1 C3 C4 C5 45.9(7) . . . . ?
C2 C3 C4 W1 -48.2(7) . . . . ?
C8 W1 C4 C3 -80.7(4) . . . . ?
C1 W1 C4 C3 52.3(4) . . . . ?
C5 W1 C4 C3 143.1(6) . . . . ?
C2 W1 C4 C3 22.1(4) . . . . ?
C6 W1 C4 C3 118.3(4) . . . . ?
C7 W1 C4 C3 87.8(4) . . . . ?
P2 W1 C4 C3 20.0(11) . . . . ?
P1 W1 C4 C3 -162.6(3) . . . . ?
C8 W1 C4 C5 136.2(4) . . . . ?
C1 W1 C4 C5 -90.8(4) . . . . ?
C3 W1 C4 C5 -143.1(6) . . . . ?
C2 W1 C4 C5 -121.0(4) . . . . ?
C6 W1 C4 C5 -24.8(4) . . . . ?
C7 W1 C4 C5 -55.3(4) . . . . ?
P2 W1 C4 C5 -123.1(8) . . . . ?
P1 W1 C4 C5 54.3(4) . . . . ?
C3 C4 C5 C6 7.1(12) . . . . ?
W1 C4 C5 C6 53.4(7) . . . . ?
C3 C4 C5 W1 -46.4(7) . . . . ?
C8 W1 C5 C4 -55.8(5) . . . . ?
C1 W1 C5 C4 87.4(4) . . . . ?
C3 W1 C5 C4 22.2(4) . . . . ?
C2 W1 C5 C4 51.7(4) . . . . ?
C6 W1 C5 C4 139.0(6) . . . . ?
C7 W1 C5 C4 116.9(4) . . . . ?
P2 W1 C5 C4 160.5(3) . . . . ?
P1 W1 C5 C4 -130.9(4) . . . . ?
C8 W1 C5 C6 165.2(4) . . . . ?
C1 W1 C5 C6 -51.6(4) . . . . ?
C3 W1 C5 C6 -116.8(4) . . . . ?
C2 W1 C5 C6 -87.3(4) . . . . ?
C4 W1 C5 C6 -139.0(6) . . . . ?
C7 W1 C5 C6 -22.1(4) . . . . ?
P2 W1 C5 C6 21.5(6) . . . . ?
P1 W1 C5 C6 90.1(3) . . . . ?
C4 C5 C6 C7 -6.2(12) . . . . ?
W1 C5 C6 C7 47.2(7) . . . . ?
C4 C5 C6 W1 -53.4(7) . . . . ?
C8 W1 C6 C7 -177.3(6) . . . . ?
C1 W1 C6 C7 -21.5(4) . . . . ?
C5 W1 C6 C7 -143.1(6) . . . . ?
C3 W1 C6 C7 -87.7(4) . . . . ?
C2 W1 C6 C7 -52.6(4) . . . . ?
C4 W1 C6 C7 -118.4(4) . . . . ?
P2 W1 C6 C7 48.8(4) . . . . ?
P1 W1 C6 C7 127.6(4) . . . . ?
C8 W1 C6 C5 -34.3(8) . . . . ?
C1 W1 C6 C5 121.6(4) . . . . ?
C3 W1 C6 C5 55.4(4) . . . . ?
C2 W1 C6 C5 90.4(4) . . . . ?
C4 W1 C6 C5 24.6(4) . . . . ?
C7 W1 C6 C5 143.1(6) . . . . ?
P2 W1 C6 C5 -168.2(3) . . . . ?
P1 W1 C6 C5 -89.3(4) . . . . ?
C2 C1 C7 C6 10.2(12) . . . . ?
W1 C1 C7 C6 -44.2(7) . . . . ?
C2 C1 C7 W1 54.4(7) . . . . ?
C5 C6 C7 C1 -2.8(12) . . . . ?
W1 C6 C7 C1 43.4(7) . . . . ?
C5 C6 C7 W1 -46.2(7) . . . . ?
C8 W1 C7 C1 31.1(12) . . . . ?
C5 W1 C7 C1 -122.0(4) . . . . ?
C3 W1 C7 C1 -55.2(4) . . . . ?
C2 W1 C7 C1 -24.7(4) . . . . ?
C4 W1 C7 C1 -90.7(4) . . . . ?
C6 W1 C7 C1 -144.5(6) . . . . ?
P2 W1 C7 C1 78.5(4) . . . . ?
P1 W1 C7 C1 158.1(4) . . . . ?
C8 W1 C7 C6 175.7(9) . . . . ?
C1 W1 C7 C6 144.5(6) . . . . ?
C5 W1 C7 C6 22.5(4) . . . . ?
C3 W1 C7 C6 89.4(4) . . . . ?
C2 W1 C7 C6 119.8(4) . . . . ?
C4 W1 C7 C6 53.9(4) . . . . ?
P2 W1 C7 C6 -137.0(4) . . . . ?
P1 W1 C7 C6 -57.4(4) . . . . ?
C1 W1 C8 C9 109(4) . . . . ?
C5 W1 C8 C9 -125(4) . . . . ?
C3 W1 C8 C9 171(4) . . . . ?
C2 W1 C8 C9 137(4) . . . . ?
C4 W1 C8 C9 -155(4) . . . . ?
C6 W1 C8 C9 -101(4) . . . . ?
C7 W1 C8 C9 85(4) . . . . ?
P2 W1 C8 C9 37(4) . . . . ?
P1 W1 C8 C9 -45(4) . . . . ?
W1 C8 C9 C10 -177(4) . . . . ?
C8 C9 C10 C11 2.3(11) . . . . ?
C8 C9 C10 C15 -176.6(7) . . . . ?
C15 C10 C11 C12 -1.2(11) . . . . ?
C9 C10 C11 C12 179.8(7) . . . . ?
C10 C11 C12 C13 2.0(12) . . . . ?
C11 C12 C13 C14 -1.3(12) . . . . ?
C12 C13 C14 C15 0.0(11) . . . . ?
C13 C14 C15 C10 0.7(11) . . . . ?
C11 C10 C15 C14 -0.1(10) . . . . ?
C9 C10 C15 C14 178.9(6) . . . . ?
C28 P1 C16 C21 44.2(6) . . . . ?
C22 P1 C16 C21 -64.1(6) . . . . ?
W1 P1 C16 C21 163.6(5) . . . . ?
C28 P1 C16 C17 -136.9(6) . . . . ?
C22 P1 C16 C17 114.7(6) . . . . ?
W1 P1 C16 C17 -17.6(7) . . . . ?
C21 C16 C17 C18 1.0(11) . . . . ?
P1 C16 C17 C18 -177.8(6) . . . . ?
C16 C17 C18 C19 -1.3(12) . . . . ?
C17 C18 C19 C20 1.0(12) . . . . ?
C18 C19 C20 C21 -0.3(12) . . . . ?
C19 C20 C21 C16 0.0(11) . . . . ?
C17 C16 C21 C20 -0.3(11) . . . . ?
P1 C16 C21 C20 178.6(6) . . . . ?
C28 P1 C22 C27 12.6(6) . . . . ?
C16 P1 C22 C27 120.1(6) . . . . ?
W1 P1 C22 C27 -106.7(5) . . . . ?
C28 P1 C22 C23 -168.2(5) . . . . ?
C16 P1 C22 C23 -60.7(5) . . . . ?
W1 P1 C22 C23 72.5(5) . . . . ?
C27 C22 C23 C24 1.2(9) . . . . ?
P1 C22 C23 C24 -178.0(5) . . . . ?
C22 C23 C24 C25 -0.6(10) . . . . ?
C23 C24 C25 C26 -0.2(10) . . . . ?
C24 C25 C26 C27 0.4(10) . . . . ?
C23 C22 C27 C26 -1.0(10) . . . . ?
P1 C22 C27 C26 178.2(5) . . . . ?
C25 C26 C27 C22 0.2(10) . . . . ?
C16 P1 C28 C29 171.3(5) . . . . ?
C22 P1 C28 C29 -82.5(5) . . . . ?
W1 P1 C28 C29 43.8(5) . . . . ?
P1 C28 C29 P2 -47.4(6) . . . . ?
C36 P2 C29 C28 -93.8(5) . . . . ?
C30 P2 C29 C28 156.2(5) . . . . ?
W1 P2 C29 C28 27.9(5) . . . . ?
C36 P2 C30 C35 12.5(6) . . . . ?
C29 P2 C30 C35 123.9(6) . . . . ?
W1 P2 C30 C35 -116.1(5) . . . . ?
C36 P2 C30 C31 -166.6(5) . . . . ?
C29 P2 C30 C31 -55.2(6) . . . . ?
W1 P2 C30 C31 64.8(5) . . . . ?
C35 C30 C31 C32 -2.0(9) . . . . ?
P2 C30 C31 C32 177.1(5) . . . . ?
C30 C31 C32 C33 0.6(10) . . . . ?
C31 C32 C33 C34 0.9(10) . . . . ?
C32 C33 C34 C35 -1.0(10) . . . . ?
C31 C30 C35 C34 1.8(10) . . . . ?
P2 C30 C35 C34 -177.2(5) . . . . ?
C33 C34 C35 C30 -0.4(10) . . . . ?
C29 P2 C36 C41 179.3(5) . . . . ?
C30 P2 C36 C41 -74.4(6) . . . . ?
W1 P2 C36 C41 59.4(5) . . . . ?
C29 P2 C36 C37 5.7(6) . . . . ?
C30 P2 C36 C37 112.0(5) . . . . ?
W1 P2 C36 C37 -114.3(5) . . . . ?
C41 C36 C37 C38 1.3(10) . . . . ?
P2 C36 C37 C38 175.0(5) . . . . ?
C36 C37 C38 C39 -1.1(10) . . . . ?
C37 C38 C39 C40 0.4(11) . . . . ?
C38 C39 C40 C41 0.1(11) . . . . ?
C37 C36 C41 C40 -0.8(9) . . . . ?
P2 C36 C41 C40 -174.6(5) . . . . ?
C39 C40 C41 C36 0.2(10) . . . . ?
C49 W2 P3 C63 -173.4(4) . . . . ?
C47 W2 P3 C63 35.0(8) . . . . ?
C46 W2 P3 C63 -84(3) . . . . ?
C44 W2 P3 C63 -74.3(5) . . . . ?
C44B W2 P3 C63 -58.0(6) . . . . ?
C45 W2 P3 C63 -93.3(7) . . . . ?
C43B W2 P3 C63 -23.7(6) . . . . ?
C47B W2 P3 C63 48.4(18) . . . . ?
C42 W2 P3 C63 -9.2(5) . . . . ?
C48 W2 P3 C63 16.5(5) . . . . ?
C43 W2 P3 C63 -44.1(5) . . . . ?
C46B W2 P3 C63 -106.0(13) . . . . ?
C49 W2 P3 C69 67.6(3) . . . . ?
C47 W2 P3 C69 -84.0(8) . . . . ?
C46 W2 P3 C69 157(3) . . . . ?
C44 W2 P3 C69 166.7(5) . . . . ?
C44B W2 P3 C69 -177.0(5) . . . . ?
C45 W2 P3 C69 147.8(7) . . . . ?
C43B W2 P3 C69 -142.7(5) . . . . ?
C47B W2 P3 C69 -70.6(18) . . . . ?
C42 W2 P3 C69 -128.2(5) . . . . ?
C48 W2 P3 C69 -102.4(5) . . . . ?
C43 W2 P3 C69 -163.1(5) . . . . ?
C46B W2 P3 C69 135.1(13) . . . . ?
C49 W2 P3 C57 -47.2(3) . . . . ?
C47 W2 P3 C57 161.1(8) . . . . ?
C46 W2 P3 C57 42(3) . . . . ?
C44 W2 P3 C57 51.9(5) . . . . ?
C44B W2 P3 C57 68.2(6) . . . . ?
C45 W2 P3 C57 32.9(7) . . . . ?
C43B W2 P3 C57 102.5(6) . . . . ?
C47B W2 P3 C57 174.6(18) . . . . ?
C42 W2 P3 C57 117.0(5) . . . . ?
C48 W2 P3 C57 142.7(5) . . . . ?
C43 W2 P3 C57 82.0(5) . . . . ?
C46B W2 P3 C57 20.2(14) . . . . ?
C49 W2 P4 C71 155.7(4) . . . . ?
C47 W2 P4 C71 23.6(6) . . . . ?
C46 W2 P4 C71 54.3(5) . . . . ?
C44 W2 P4 C71 19(4) . . . . ?
C44B W2 P4 C71 -36.4(14) . . . . ?
C45 W2 P4 C71 70.9(8) . . . . ?
C43B W2 P4 C71 -42.8(6) . . . . ?
C47B W2 P4 C71 41.2(6) . . . . ?
C42 W2 P4 C71 -40.6(5) . . . . ?
C48 W2 P4 C71 -11.6(5) . . . . ?
C43 W2 P4 C71 -57.7(7) . . . . ?
C46B W2 P4 C71 64.7(6) . . . . ?
C49 W2 P4 C77 31.3(3) . . . . ?
C47 W2 P4 C77 -100.8(5) . . . . ?
C46 W2 P4 C77 -70.1(5) . . . . ?
C44 W2 P4 C77 -105(4) . . . . ?
C44B W2 P4 C77 -160.8(14) . . . . ?
C45 W2 P4 C77 -53.4(7) . . . . ?
C43B W2 P4 C77 -167.2(6) . . . . ?
C47B W2 P4 C77 -83.2(6) . . . . ?
C42 W2 P4 C77 -165.0(5) . . . . ?
C48 W2 P4 C77 -136.0(5) . . . . ?
C43 W2 P4 C77 177.9(6) . . . . ?
C46B W2 P4 C77 -59.7(6) . . . . ?
C49 W2 P4 C70 -85.1(3) . . . . ?
C47 W2 P4 C70 142.8(5) . . . . ?
C46 W2 P4 C70 173.5(5) . . . . ?
C44 W2 P4 C70 139(4) . . . . ?
C44B W2 P4 C70 82.9(14) . . . . ?
C45 W2 P4 C70 -169.8(7) . . . . ?
C43B W2 P4 C70 76.4(6) . . . . ?
C47B W2 P4 C70 160.4(6) . . . . ?
C42 W2 P4 C70 78.6(5) . . . . ?
C48 W2 P4 C70 107.6(5) . . . . ?
C43 W2 P4 C70 61.6(6) . . . . ?
C46B W2 P4 C70 -176.0(6) . . . . ?
C49 W2 C42 C43 -34.3(15) . . . . ?
C47 W2 C42 C43 121.3(8) . . . . ?
C46 W2 C42 C43 89.5(8) . . . . ?
C44 W2 C42 C43 22.8(6) . . . . ?
C44B W2 C42 C43 19.3(9) . . . . ?
C45 W2 C42 C43 53.2(7) . . . . ?
C43B W2 C42 C43 10(2) . . . . ?
C47B W2 C42 C43 110.2(8) . . . . ?
C48 W2 C42 C43 140.4(12) . . . . ?
C46B W2 C42 C43 76.1(8) . . . . ?
C49 W2 C42 C48 -174.7(10) . . . . ?
C47 W2 C42 C48 -19.2(8) . . . . ?
C46 W2 C42 C48 -51.0(9) . . . . ?
C44 W2 C42 C48 -117.7(10) . . . . ?
C44B W2 C42 C48 -121.2(12) . . . . ?
C45 W2 C42 C48 -87.2(9) . . . . ?
C43B W2 C42 C48 -130(3) . . . . ?
C47B W2 C42 C48 -30.2(9) . . . . ?
C43 W2 C42 C48 -140.4(12) . . . . ?
C46B W2 C42 C48 -64.3(10) . . . . ?
C48 C42 C43 C44 1.8(15) . . . . ?
W2 C42 C43 C44 -49.2(8) . . . . ?
C48 C42 C43 W2 50.9(12) . . . . ?
C49 W2 C43 C44 -52.3(8) . . . . ?
C47 W2 C43 C44 89.8(8) . . . . ?
C46 W2 C43 C44 52.7(8) . . . . ?
C44B W2 C43 C44 11.8(18) . . . . ?
C45 W2 C43 C44 22.7(7) . . . . ?
C43B W2 C43 C44 134.9(17) . . . . ?
C47B W2 C43 C44 73.1(8) . . . . ?
C42 W2 C43 C44 142.1(10) . . . . ?
C48 W2 C43 C44 118.2(8) . . . . ?
C46B W2 C43 C44 39.0(8) . . . . ?
C49 W2 C43 C42 165.6(7) . . . . ?
C47 W2 C43 C42 -52.3(8) . . . . ?
C46 W2 C43 C42 -89.4(8) . . . . ?
C44 W2 C43 C42 -142.1(10) . . . . ?
C44B W2 C43 C42 -130(2) . . . . ?
C45 W2 C43 C42 -119.4(8) . . . . ?
C43B W2 C43 C42 -7.1(15) . . . . ?
C47B W2 C43 C42 -69.0(8) . . . . ?
C48 W2 C43 C42 -23.8(7) . . . . ?
C46B W2 C43 C42 -103.0(8) . . . . ?
C42 C43 C44 C45 0.7(16) . . . . ?
W2 C43 C44 C45 -48.4(14) . . . . ?
C42 C43 C44 W2 49.1(8) . . . . ?
C49 W2 C44 C43 139.5(7) . . . . ?
C47 W2 C44 C43 -89.1(8) . . . . ?
C46 W2 C44 C43 -121.0(8) . . . . ?
C44B W2 C44 C43 -14(2) . . . . ?
C45 W2 C44 C43 -142.5(12) . . . . ?
C43B W2 C44 C43 -18.8(8) . . . . ?
C47B W2 C44 C43 -106.8(8) . . . . ?
C42 W2 C44 C43 -22.8(6) . . . . ?
C48 W2 C44 C43 -53.8(7) . . . . ?
C46B W2 C44 C43 -132.6(10) . . . . ?
C49 W2 C44 C45 -78.0(9) . . . . ?
C47 W2 C44 C45 53.4(9) . . . . ?
C46 W2 C44 C45 21.5(9) . . . . ?
C44B W2 C44 C45 129(2) . . . . ?
C43B W2 C44 C45 123.7(11) . . . . ?
C47B W2 C44 C45 35.7(10) . . . . ?
C42 W2 C44 C45 119.7(10) . . . . ?
C48 W2 C44 C45 88.8(9) . . . . ?
C43 W2 C44 C45 142.5(12) . . . . ?
C46B W2 C44 C45 10.0(10) . . . . ?
C43 C44 C45 C46 5(3) . . . . ?
W2 C44 C45 C46 -43.6(18) . . . . ?
C43 C44 C45 W2 48.2(12) . . . . ?
C49 W2 C45 C44 106.6(9) . . . . ?
C47 W2 C45 C44 -120.2(10) . . . . ?
C46 W2 C45 C44 -144.9(14) . . . . ?
C44B W2 C45 C44 -17.6(9) . . . . ?
C43B W2 C45 C44 -42.5(9) . . . . ?
C47B W2 C45 C44 -136.0(11) . . . . ?
C42 W2 C45 C44 -52.7(9) . . . . ?
C48 W2 C45 C44 -88.1(9) . . . . ?
C43 W2 C45 C44 -22.4(7) . . . . ?
C46B W2 C45 C44 -159(2) . . . . ?
C49 W2 C45 C46 -108.5(10) . . . . ?
C47 W2 C45 C46 24.7(9) . . . . ?
C44 W2 C45 C46 144.9(14) . . . . ?
C44B W2 C45 C46 127.2(13) . . . . ?
C43B W2 C45 C46 102.4(10) . . . . ?
C47B W2 C45 C46 8.8(10) . . . . ?
C42 W2 C45 C46 92.2(10) . . . . ?
C48 W2 C45 C46 56.8(9) . . . . ?
C43 W2 C45 C46 122.4(10) . . . . ?
C46B W2 C45 C46 -13.8(16) . . . . ?
C44 C45 C46 C47 -4(3) . . . . ?
W2 C45 C46 C47 -48.7(16) . . . . ?
C44 C45 C46 W2 44.2(18) . . . . ?
C49 W2 C46 C47 -143.6(9) . . . . ?
C44 W2 C46 C47 118.8(10) . . . . ?
C44B W2 C46 C47 102.1(10) . . . . ?
C45 W2 C46 C47 139.9(14) . . . . ?
C43B W2 C46 C47 68.3(9) . . . . ?
C47B W2 C46 C47 -19.6(17) . . . . ?
C42 W2 C46 C47 54.0(9) . . . . ?
C48 W2 C46 C47 24.8(8) . . . . ?
C43 W2 C46 C47 89.2(9) . . . . ?
C46B W2 C46 C47 163(3) . . . . ?
C49 W2 C46 C45 76.5(10) . . . . ?
C47 W2 C46 C45 -139.9(14) . . . . ?
C44 W2 C46 C45 -21.2(9) . . . . ?
C44B W2 C46 C45 -37.8(10) . . . . ?
C43B W2 C46 C45 -71.6(10) . . . . ?
C47B W2 C46 C45 -159(2) . . . . ?
C42 W2 C46 C45 -85.9(10) . . . . ?
C48 W2 C46 C45 -115.1(10) . . . . ?
C43 W2 C46 C45 -50.7(9) . . . . ?
C46B W2 C46 C45 23(3) . . . . ?
C45 C46 C47 C48 -6(3) . . . . ?
W2 C46 C47 C48 -56.1(17) . . . . ?
C45 C46 C47 W2 50.2(17) . . . . ?
C49 W2 C47 C48 -172.0(8) . . . . ?
C46 W2 C47 C48 138.2(13) . . . . ?
C44 W2 C47 C48 83.8(9) . . . . ?
C44B W2 C47 C48 67.5(10) . . . . ?
C45 W2 C47 C48 114.0(10) . . . . ?
C43B W2 C47 C48 33.3(9) . . . . ?
C47B W2 C47 C48 161(3) . . . . ?
C42 W2 C47 C48 19.1(8) . . . . ?
C43 W2 C47 C48 48.6(9) . . . . ?
C46B W2 C47 C48 132.9(12) . . . . ?
C49 W2 C47 C46 49.8(11) . . . . ?
C44 W2 C47 C46 -54.4(9) . . . . ?
C44B W2 C47 C46 -70.7(9) . . . . ?
C45 W2 C47 C46 -24.2(8) . . . . ?
C43B W2 C47 C46 -104.9(10) . . . . ?
C47B W2 C47 C46 23(2) . . . . ?
C42 W2 C47 C46 -119.0(10) . . . . ?
C48 W2 C47 C46 -138.2(13) . . . . ?
C43 W2 C47 C46 -89.5(9) . . . . ?
C46B W2 C47 C46 -5.3(10) . . . . ?
C43 C42 C48 C47 -12(3) . . . . ?
W2 C42 C48 C47 38.7(17) . . . . ?
C43 C42 C48 W2 -50.5(11) . . . . ?
C46 C47 C48 C42 15(3) . . . . ?
W2 C47 C48 C42 -39.6(17) . . . . ?
C46 C47 C48 W2 54.8(16) . . . . ?
C49 W2 C48 C42 172.7(14) . . . . ?
C47 W2 C48 C42 148.4(14) . . . . ?
C46 W2 C48 C42 122.5(10) . . . . ?
C44 W2 C48 C42 54.3(9) . . . . ?
C44B W2 C48 C42 43.0(9) . . . . ?
C45 W2 C48 C42 90.0(9) . . . . ?
C43B W2 C48 C42 15.5(9) . . . . ?
C47B W2 C48 C42 141.3(12) . . . . ?
C43 W2 C48 C42 23.7(7) . . . . ?
C46B W2 C48 C42 112.9(10) . . . . ?
C49 W2 C48 C47 24(2) . . . . ?
C46 W2 C48 C47 -25.9(8) . . . . ?
C44 W2 C48 C47 -94.1(9) . . . . ?
C44B W2 C48 C47 -105.4(10) . . . . ?
C45 W2 C48 C47 -58.4(9) . . . . ?
C43B W2 C48 C47 -132.9(13) . . . . ?
C47B W2 C48 C47 -7.1(9) . . . . ?
C42 W2 C48 C47 -148.4(14) . . . . ?
C43 W2 C48 C47 -124.7(10) . . . . ?
C46B W2 C48 C47 -35.4(9) . . . . ?
C49 W2 C42B C43B -150(13) . . . . ?
C47 W2 C42B C43B 126.8(12) . . . . ?
C46 W2 C42B C43B 100.1(9) . . . . ?
C44 W2 C42B C43B 30.8(9) . . . . ?
C44B W2 C42B C43B 22.5(7) . . . . ?
C45 W2 C42B C43B 65.4(9) . . . . ?
C47B W2 C42B C43B 119.1(10) . . . . ?
C42 W2 C42B C43B -16.4(14) . . . . ?
C48 W2 C42B C43B 139(3) . . . . ?
C43 W2 C42B C43B 3.8(8) . . . . ?
C46B W2 C42B C43B 89.2(9) . . . . ?
C49 W2 C42B C48B 69(13) . . . . ?
C47 W2 C42B C48B -13.6(10) . . . . ?
C46 W2 C42B C48B -40.3(10) . . . . ?
C44 W2 C42B C48B -109.7(10) . . . . ?
C44B W2 C42B C48B -118.0(11) . . . . ?
C45 W2 C42B C48B -75.1(10) . . . . ?
C43B W2 C42B C48B -140.5(14) . . . . ?
C47B W2 C42B C48B -21.4(9) . . . . ?
C42 W2 C42B C48B -157(2) . . . . ?
C48 W2 C42B C48B -2(3) . . . . ?
C43 W2 C42B C48B -136.7(12) . . . . ?
C46B W2 C42B C48B -51.3(10) . . . . ?
C48B C42B C43B C44B -0.4(18) . . . . ?
W2 C42B C43B C44B -48.8(8) . . . . ?
C48B C42B C43B W2 48.4(15) . . . . ?
C49 W2 C43B C44B -39.4(12) . . . . ?
C47 W2 C43B C44B 103.8(9) . . . . ?
C46 W2 C43B C44B 68.1(9) . . . . ?
C44 W2 C43B C44B 2.7(9) . . . . ?
C45 W2 C43B C44B 32.6(9) . . . . ?
C47B W2 C43B C44B 89.6(9) . . . . ?
C42 W2 C43B C44B 168(3) . . . . ?
C48 W2 C43B C44B 130.1(12) . . . . ?
C43 W2 C43B C44B -28.5(15) . . . . ?
C46B W2 C43B C44B 53.9(9) . . . . ?
C49 W2 C43B C42B 177.9(9) . . . . ?
C47 W2 C43B C42B -39.0(9) . . . . ?
C46 W2 C43B C42B -74.7(9) . . . . ?
C44 W2 C43B C42B -140.1(11) . . . . ?
C44B W2 C43B C42B -142.8(11) . . . . ?
C45 W2 C43B C42B -110.1(9) . . . . ?
C47B W2 C43B C42B -53.1(9) . . . . ?
C42 W2 C43B C42B 25(2) . . . . ?
C48 W2 C43B C42B -12.7(10) . . . . ?
C43 W2 C43B C42B -171.3(18) . . . . ?
C46B W2 C43B C42B -88.8(9) . . . . ?
C42B C43B C44B C45B -1.7(19) . . . . ?
W2 C43B C44B C45B -51.5(17) . . . . ?
C42B C43B C44B W2 49.9(8) . . . . ?
C49 W2 C44B C43B 157.5(8) . . . . ?
C47 W2 C44B C43B -69.4(9) . . . . ?
C46 W2 C44B C43B -105.7(9) . . . . ?
C44 W2 C44B C43B -173(2) . . . . ?
C45 W2 C44B C43B -135.1(12) . . . . ?
C47B W2 C44B C43B -87.5(9) . . . . ?
C42 W2 C44B C43B -3.9(9) . . . . ?
C48 W2 C44B C43B -35.2(8) . . . . ?
C43 W2 C44B C43B 31.4(17) . . . . ?
C46B W2 C44B C43B -119.0(9) . . . . ?
C49 W2 C44B C45B -61.9(11) . . . . ?
C47 W2 C44B C45B 71.3(11) . . . . ?
C46 W2 C44B C45B 35.0(10) . . . . ?
C44 W2 C44B C45B -32(2) . . . . ?
C45 W2 C44B C45B 5.6(12) . . . . ?
C43B W2 C44B C45B 140.7(14) . . . . ?
C47B W2 C44B C45B 53.2(11) . . . . ?
C42 W2 C44B C45B 136.7(13) . . . . ?
C48 W2 C44B C45B 105.4(11) . . . . ?
C43 W2 C44B C45B 172(2) . . . . ?
C46B W2 C44B C45B 21.6(10) . . . . ?
C43B C44B C45B C46B 7(3) . . . . ?
W2 C44B C45B C46B -44(2) . . . . ?
C43B C44B C45B W2 51.4(15) . . . . ?
C49 W2 C45B C44B 127.4(10) . . . . ?
C47 W2 C45B C44B -102.1(11) . . . . ?
C46 W2 C45B C44B -131.0(14) . . . . ?
C44 W2 C45B C44B 23.2(15) . . . . ?
C45 W2 C45B C44B -161(4) . . . . ?
C43B W2 C45B C44B -23.6(9) . . . . ?
C47B W2 C45B C44B -119.0(12) . . . . ?
C42 W2 C45B C44B -32.2(10) . . . . ?
C48 W2 C45B C44B -67.4(11) . . . . ?
C43 W2 C45B C44B -3.2(10) . . . . ?
C46B W2 C45B C44B -144.4(17) . . . . ?
C49 W2 C45B C46B -88.1(11) . . . . ?
C47 W2 C45B C46B 42.4(10) . . . . ?
C46 W2 C45B C46B 13.4(10) . . . . ?
C44 W2 C45B C46B 168(2) . . . . ?
C44B W2 C45B C46B 144.4(17) . . . . ?
C45 W2 C45B C46B -16(3) . . . . ?
C43B W2 C45B C46B 120.9(12) . . . . ?
C47B W2 C45B C46B 25.4(10) . . . . ?
C42 W2 C45B C46B 112.3(11) . . . . ?
C48 W2 C45B C46B 77.0(11) . . . . ?
C43 W2 C45B C46B 141.3(14) . . . . ?
C44B C45B C46B C47B -10(4) . . . . ?
W2 C45B C46B C47B -54(2) . . . . ?
C44B C45B C46B W2 44(2) . . . . ?
C49 W2 C46B C47B -126.7(10) . . . . ?
C47 W2 C46B C47B 14.8(10) . . . . ?
C46 W2 C46B C47B 2(3) . . . . ?
C44 W2 C46B C47B 132.1(12) . . . . ?
C44B W2 C46B C47B 116.2(11) . . . . ?
C45 W2 C46B C47B 147(2) . . . . ?
C43B W2 C46B C47B 86.0(10) . . . . ?
C42 W2 C46B C47B 72.7(10) . . . . ?
C48 W2 C46B C47B 40.5(10) . . . . ?
C43 W2 C46B C47B 106.9(11) . . . . ?
C49 W2 C46B C45B 95.5(11) . . . . ?
C47 W2 C46B C45B -123.0(14) . . . . ?
C46 W2 C46B C45B -136(3) . . . . ?
C44 W2 C46B C45B -5.6(11) . . . . ?
C44B W2 C46B C45B -21.5(10) . . . . ?
C45 W2 C46B C45B 8.8(18) . . . . ?
C43B W2 C46B C45B -51.8(11) . . . . ?
C47B W2 C46B C45B -137.7(16) . . . . ?
C42 W2 C46B C45B -65.0(11) . . . . ?
C48 W2 C46B C45B -97.2(11) . . . . ?
C43 W2 C46B C45B -30.8(11) . . . . ?
C45B C46B C47B C48B 6(4) . . . . ?
W2 C46B C47B C48B -48(2) . . . . ?
C45B C46B C47B W2 54(2) . . . . ?
C49 W2 C47B C48B -156.2(10) . . . . ?
C47 W2 C47B C48B 2(2) . . . . ?
C46 W2 C47B C48B 141(2) . . . . ?
C44 W2 C47B C48B 103.2(11) . . . . ?
C44B W2 C47B C48B 86.4(11) . . . . ?
C45 W2 C47B C48B 127.1(13) . . . . ?
C43B W2 C47B C48B 51.1(10) . . . . ?
C42 W2 C47B C48B 36.8(10) . . . . ?
C48 W2 C47B C48B 15.4(10) . . . . ?
C43 W2 C47B C48B 69.7(11) . . . . ?
C46B W2 C47B C48B 142.6(16) . . . . ?
C49 W2 C47B C46B 61.2(11) . . . . ?
C47 W2 C47B C46B -141(3) . . . . ?
C46 W2 C47B C46B -1.1(18) . . . . ?
C44 W2 C47B C46B -39.4(10) . . . . ?
C44B W2 C47B C46B -56.1(10) . . . . ?
C45 W2 C47B C46B -15.5(10) . . . . ?
C43B W2 C47B C46B -91.4(10) . . . . ?
C42 W2 C47B C46B -105.8(11) . . . . ?
C48 W2 C47B C46B -127.2(13) . . . . ?
C43 W2 C47B C46B -72.9(11) . . . . ?
C43B C42B C48B C47B -1(3) . . . . ?
W2 C42B C48B C47B 47(2) . . . . ?
C43B C42B C48B W2 -47.9(14) . . . . ?
C46B C47B C48B C42B -1(4) . . . . ?
W2 C47B C48B C42B -48(2) . . . . ?
C46B C47B C48B W2 47(2) . . . . ?
C49 W2 C48B C42B -176.3(9) . . . . ?
C47 W2 C48B C42B 142(3) . . . . ?
C46 W2 C48B C42B 127.9(12) . . . . ?
C44 W2 C48B C42B 68.4(10) . . . . ?
C44B W2 C48B C42B 54.0(10) . . . . ?
C45 W2 C48B C42B 101.9(11) . . . . ?
C43B W2 C48B C42B 23.6(9) . . . . ?
C47B W2 C48B C42B 144.4(16) . . . . ?
C42 W2 C48B C42B 10.4(9) . . . . ?
C48 W2 C48B C42B 1.1(18) . . . . ?
C43 W2 C48B C42B 34.7(10) . . . . ?
C46B W2 C48B C42B 121.7(11) . . . . ?
C49 W2 C48B C47B 39.3(15) . . . . ?
C47 W2 C48B C47B -2(2) . . . . ?
C46 W2 C48B C47B -16.6(10) . . . . ?
C44 W2 C48B C47B -76.1(11) . . . . ?
C44B W2 C48B C47B -90.5(11) . . . . ?
C45 W2 C48B C47B -42.5(10) . . . . ?
C43B W2 C48B C47B -120.8(11) . . . . ?
C42 W2 C48B C47B -134.0(12) . . . . ?
C48 W2 C48B C47B -143(2) . . . . ?
C43 W2 C48B C47B -109.7(11) . . . . ?
C46B W2 C48B C47B -22.7(10) . . . . ?
C47 W2 C49 C50 98(8) . . . . ?
C46 W2 C49 C50 126(8) . . . . ?
C44 W2 C49 C50 -164(8) . . . . ?
C44B W2 C49 C50 -156(8) . . . . ?
C45 W2 C49 C50 161(8) . . . . ?
C43B W2 C49 C50 -132(8) . . . . ?
C47B W2 C49 C50 106(8) . . . . ?
C42 W2 C49 C50 -113(8) . . . . ?
C48 W2 C49 C50 79(8) . . . . ?
C43 W2 C49 C50 -137(8) . . . . ?
C46B W2 C49 C50 137(8) . . . . ?
W2 C49 C50 C51 -178(100) . . . . ?
C49 C50 C51 C52 -7.1(13) . . . . ?
C49 C50 C51 C56 174.9(8) . . . . ?
C56 C51 C52 C53 -2.3(12) . . . . ?
C50 C51 C52 C53 179.7(7) . . . . ?
C51 C52 C53 C54 2.9(13) . . . . ?
C52 C53 C54 C55 -1.6(13) . . . . ?
C53 C54 C55 C56 -0.3(12) . . . . ?
C54 C55 C56 C51 0.8(12) . . . . ?
C52 C51 C56 C55 0.5(11) . . . . ?
C50 C51 C56 C55 178.5(7) . . . . ?
C63 P3 C57 C62 -73.1(6) . . . . ?
C69 P3 C57 C62 35.1(7) . . . . ?
W2 P3 C57 C62 152.0(5) . . . . ?
C63 P3 C57 C58 109.9(6) . . . . ?
C69 P3 C57 C58 -141.9(6) . . . . ?
W2 P3 C57 C58 -25.0(6) . . . . ?
C62 C57 C58 C59 1.9(11) . . . . ?
P3 C57 C58 C59 179.0(6) . . . . ?
C57 C58 C59 C60 -1.2(12) . . . . ?
C58 C59 C60 C61 1.8(12) . . . . ?
C59 C60 C61 C62 -3.0(12) . . . . ?
C58 C57 C62 C61 -3.2(11) . . . . ?
P3 C57 C62 C61 179.8(6) . . . . ?
C60 C61 C62 C57 3.8(12) . . . . ?
C69 P3 C63 C68 69.7(7) . . . . ?
C57 P3 C63 C68 177.4(6) . . . . ?
W2 P3 C63 C68 -50.7(7) . . . . ?
C69 P3 C63 C64 -109.5(6) . . . . ?
C57 P3 C63 C64 -1.7(7) . . . . ?
W2 P3 C63 C64 130.2(6) . . . . ?
C68 C63 C64 C65 -1.8(11) . . . . ?
P3 C63 C64 C65 177.4(6) . . . . ?
C63 C64 C65 C66 0.5(11) . . . . ?
C64 C65 C66 C67 0.0(13) . . . . ?
C65 C66 C67 C68 0.8(14) . . . . ?
C64 C63 C68 C67 2.7(12) . . . . ?
P3 C63 C68 C67 -176.5(7) . . . . ?
C66 C67 C68 C63 -2.2(14) . . . . ?
C63 P3 C69 C70 -85.2(5) . . . . ?
C57 P3 C69 C70 167.3(5) . . . . ?
W2 P3 C69 C70 44.3(5) . . . . ?
P3 C69 C70 P4 -53.0(6) . . . . ?
C71 P4 C70 C69 163.2(5) . . . . ?
C77 P4 C70 C69 -84.7(5) . . . . ?
W2 P4 C70 C69 36.1(5) . . . . ?
C77 P4 C71 C76 -151.3(7) . . . . ?
C70 P4 C71 C76 -39.6(8) . . . . ?
W2 P4 C71 C76 81.2(7) . . . . ?
C77 P4 C71 C72 36.9(7) . . . . ?
C70 P4 C71 C72 148.5(6) . . . . ?
W2 P4 C71 C72 -90.6(7) . . . . ?
C76 C71 C72 C73 0.7(12) . . . . ?
P4 C71 C72 C73 172.9(6) . . . . ?
C71 C72 C73 C74 -1.1(13) . . . . ?
C72 C73 C74 C75 0.9(13) . . . . ?
C73 C74 C75 C76 -0.3(13) . . . . ?
C72 C71 C76 C75 -0.1(12) . . . . ?
P4 C71 C76 C75 -172.1(6) . . . . ?
C74 C75 C76 C71 -0.1(13) . . . . ?
C71 P4 C77 C82 97.0(7) . . . . ?
C70 P4 C77 C82 -14.3(8) . . . . ?
W2 P4 C77 C82 -132.3(6) . . . . ?
C71 P4 C77 C78 -86.0(7) . . . . ?
C70 P4 C77 C78 162.6(7) . . . . ?
W2 P4 C77 C78 44.7(7) . . . . ?
C82 C77 C78 C79 4.4(13) . . . . ?
P4 C77 C78 C79 -172.7(7) . . . . ?
C77 C78 C79 C80 0.5(15) . . . . ?
C78 C79 C80 C81 -5.6(15) . . . . ?
C79 C80 C81 C82 5.6(13) . . . . ?
C78 C77 C82 C81 -4.5(12) . . . . ?
P4 C77 C82 C81 172.5(6) . . . . ?
C80 C81 C82 C77 -0.6(13) . . . . ?
