#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/52/7005218.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_7005218
loop_
_publ_author_name
'Beves, Jonathon E.'
'Constable, Edwin C.'
'Housecroft, Catherine E.'
'Neuburger, Markus'
'Schaffner, Silvia'
'Shardlow, Ellen J.'
_publ_section_title
;
 [n + n]-Heterometallomacrocyclic complexes (n > or = 2) prepared
 from platinum(II)-centred ditopic 2,2':6',2''-terpyridine ligands:
 dimensional cataloguing by pulsed-field gradient spin-echo NMR
 spectroscopy.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1593
_journal_page_last               1602
_journal_paper_doi               10.1039/b618197j
_journal_year                    2007
_chemical_formula_moiety         'C72 H54 N6 O2 P2 Pt, 2(C6 H6)'
_chemical_formula_sum            'C84 H66 N6 O2 P2 Pt'
_chemical_formula_weight         1448.52
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             05-05-12
_audit_creation_method           CRYSTALS_ver_12.24
_cell_angle_alpha                104.458(3)
_cell_angle_beta                 104.998(3)
_cell_angle_gamma                107.061(2)
_cell_formula_units_Z            1
_cell_length_a                   9.3237(5)
_cell_length_b                   13.3692(7)
_cell_length_c                   15.5613(7)
_cell_measurement_reflns_used    6381
_cell_measurement_temperature    173
_cell_measurement_theta_max      27
_cell_measurement_theta_min      3
_cell_volume                     1676.15(16)
_computing_cell_refinement       'Denzo/Scalepack (Otwinowski & Minor, 1996)'
_computing_data_collection       'COLLECT (Nonius BV, 1997)'
_computing_data_reduction        'Denzo/Scalepack (Otwinowski & Minor, 1996)'
_computing_molecular_graphics    'CAMERON (Watkin et al 1996)'
_computing_publication_material  'CRYSTALS (Betteridge et al 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al 2003)'
_computing_structure_solution    'SIR92 (Altomare et al, 1994)'
_diffrn_ambient_temperature      173
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       'φ & ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.042
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            12703
_diffrn_reflns_theta_full        21.415
_diffrn_reflns_theta_max         27.456
_diffrn_reflns_theta_min         2.933
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.196
_exptl_absorpt_correction_T_max  0.58
_exptl_absorpt_correction_T_min  0.55
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Denzo/Scalepack (Otwinowski & Minor, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.435
_exptl_crystal_description       plate
_exptl_crystal_F_000             736
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.25
_refine_diff_density_max         2.02
_refine_diff_density_min         -1.48
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.1209
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     430
_refine_ls_number_reflns         6362
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0511
_refine_ls_R_factor_gt           0.0431
_refine_ls_shift/su_max          0.000329
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
Method, part 1, Chebychev polynomial, (Watkin, 1994, Prince, 1982)
[weight] = 1.0/[A₀*T₀(x)+A₁*T₁(x) ... +Aₙ₋₁]*Tₙ₋₁(x)]
where Ai are the Chebychev coefficients listed below and x= Fcalc/Fmax
Method = Robust Weighting (Prince, 1982)
W = [weight] * [1-(deltaF/6*sigmaF)²]²
Ai are:
0.568 -0.153 0.424 -0.109 0.102
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0520
_refine_ls_wR_factor_gt          0.0475
_refine_ls_wR_factor_ref         0.0475
_reflns_limit_h_max              11
_reflns_limit_h_min              -12
_reflns_limit_k_max              16
_reflns_limit_k_min              -17
_reflns_limit_l_max              20
_reflns_limit_l_min              0
_reflns_number_gt                6362
_reflns_number_total             7414
_reflns_threshold_expression     I>3.00u(I)
_oxford_diffrn_Wilson_B_factor   0.00
_oxford_diffrn_Wilson_scale      0.00
_oxford_refine_ls_scale          0.1940(3)
_oxford_structure_analysis_title '5121056 ellieFast_173k'
_cod_data_source_file            b618197j.txt
_cod_data_source_block           ejsPtPPh3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1676.16(16)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C84 H66 N6 O2 P2 Pt1'
_cod_database_code               7005218
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
Pt1 Pt 0.5000 0.5000 0.0000 0.0302 1.0000 Uani S . . . . .
P1 P 0.69869(12) 0.57031(9) 0.14925(7) 0.0304 1.0000 Uani . . . . . .
O1 O 0.4227(4) 0.1823(3) 0.1491(2) 0.0395 1.0000 Uani . . . . . .
N1 N 0.9562(6) 0.2456(4) 0.3710(3) 0.0504 1.0000 Uani . . . . . .
N2 N 0.8376(4) 0.1542(3) 0.1155(3) 0.0358 1.0000 Uani . . . . . .
N3 N 0.6141(5) 0.0917(4) -0.1311(3) 0.0449 1.0000 Uani . . . . . .
C1 C 1.0855(8) 0.2702(5) 0.4466(4) 0.0604 1.0000 Uani . . . . . .
C2 C 1.2258(7) 0.2604(5) 0.4423(4) 0.0624 1.0000 Uani . . . . . .
C3 C 1.2343(7) 0.2212(5) 0.3545(4) 0.0574 1.0000 Uani . . . . . .
C4 C 1.1034(6) 0.1954(5) 0.2748(4) 0.0504 1.0000 Uani . . . . . .
C5 C 0.9671(6) 0.2084(4) 0.2853(3) 0.0415 1.0000 Uani . . . . . .
C6 C 0.8220(5) 0.1829(3) 0.2008(3) 0.0352 1.0000 Uani . . . . . .
C7 C 0.6837(5) 0.1922(4) 0.2124(3) 0.0373 1.0000 Uani . . . . . .
C8 C 0.5558(5) 0.1728(3) 0.1328(3) 0.0331 1.0000 Uani . . . . . .
C9 C 0.5697(5) 0.1453(3) 0.0441(3) 0.0340 1.0000 Uani . . . . . .
C10 C 0.7122(5) 0.1355(3) 0.0390(3) 0.0333 1.0000 Uani . . . . . .
C11 C 0.7346(5) 0.1056(3) -0.0546(3) 0.0358 1.0000 Uani . . . . . .
C12 C 0.8761(6) 0.0951(4) -0.0598(4) 0.0440 1.0000 Uani . . . . . .
C13 C 0.8922(7) 0.0681(5) -0.1483(4) 0.0550 1.0000 Uani . . . . . .
C14 C 0.7713(7) 0.0541(5) -0.2267(4) 0.0543 1.0000 Uani . . . . . .
C15 C 0.6349(8) 0.0663(5) -0.2153(4) 0.0565 1.0000 Uani . . . . . .
C16 C 0.2971(5) 0.1821(4) 0.0713(3) 0.0396 1.0000 Uani . . . . . .
C17 C 0.3480(5) 0.2795(4) 0.0444(3) 0.0336 1.0000 Uani . . . . . .
C18 C 0.4004(5) 0.3622(4) 0.0257(3) 0.0339 1.0000 Uani . . . . . .
C19 C 0.7701(5) 0.7199(3) 0.2181(3) 0.0327 1.0000 Uani . . . . . .
C20 C 0.6897(6) 0.7860(4) 0.1930(3) 0.0385 1.0000 Uani . . . . . .
C21 C 0.7441(7) 0.8981(4) 0.2489(4) 0.0462 1.0000 Uani . . . . . .
C22 C 0.8793(7) 0.9451(4) 0.3320(4) 0.0473 1.0000 Uani . . . . . .
C23 C 0.9574(6) 0.8791(4) 0.3593(3) 0.0481 1.0000 Uani . . . . . .
C24 C 0.9052(6) 0.7668(4) 0.3029(3) 0.0415 1.0000 Uani . . . . . .
C25 C 0.6630(5) 0.5118(4) 0.2400(3) 0.0343 1.0000 Uani . . . . . .
C26 C 0.7756(6) 0.4878(4) 0.2990(3) 0.0394 1.0000 Uani . . . . . .
C27 C 0.7459(7) 0.4522(4) 0.3717(3) 0.0477 1.0000 Uani . . . . . .
C28 C 0.6037(8) 0.4419(5) 0.3860(4) 0.0536 1.0000 Uani . . . . . .
C29 C 0.4891(7) 0.4654(5) 0.3277(4) 0.0520 1.0000 Uani . . . . . .
C30 C 0.5195(6) 0.5001(4) 0.2547(3) 0.0424 1.0000 Uani . . . . . .
C31 C 0.8773(5) 0.5490(4) 0.1357(3) 0.0330 1.0000 Uani . . . . . .
C32 C 0.8807(6) 0.4417(4) 0.1189(3) 0.0393 1.0000 Uani . . . . . .
C33 C 1.0122(6) 0.4234(4) 0.1036(3) 0.0437 1.0000 Uani . . . . . .
C34 C 1.1373(6) 0.5074(5) 0.1035(3) 0.0468 1.0000 Uani . . . . . .
C35 C 1.1326(6) 0.6131(5) 0.1188(3) 0.0468 1.0000 Uani . . . . . .
C36 C 1.0036(6) 0.6337(4) 0.1347(3) 0.0406 1.0000 Uani . . . . . .
C37 C 0.4087(9) 0.7382(6) 0.3590(5) 0.0698 1.0000 Uani . . . . . .
C38 C 0.4995(9) 0.8389(7) 0.4302(5) 0.0754 1.0000 Uani . . . . . .
C39 C 0.4588(13) 0.8672(8) 0.5107(5) 0.0908 1.0000 Uani . . . . . .
C40 C 0.3273(13) 0.7926(9) 0.5169(6) 0.0900 1.0000 Uani . . . . . .
C41 C 0.2386(9) 0.6925(8) 0.4445(6) 0.0801 1.0000 Uani . . . . . .
C42 C 0.2799(9) 0.6647(7) 0.3656(5) 0.0727 1.0000 Uani . . . . . .
H11 H 1.0796 0.2964 0.5077 0.0677 1.0000 Uiso R . . . . .
H21 H 1.3146 0.2804 0.4986 0.0644 1.0000 Uiso R . . . . .
H31 H 1.3289 0.2120 0.3485 0.0676 1.0000 Uiso R . . . . .
H41 H 1.1072 0.1687 0.2132 0.0598 1.0000 Uiso R . . . . .
H71 H 0.6767 0.2116 0.2737 0.0441 1.0000 Uiso R . . . . .
H91 H 0.4849 0.1336 -0.0114 0.0402 1.0000 Uiso R . . . . .
H121 H 0.9602 0.1062 -0.0042 0.0486 1.0000 Uiso R . . . . .
H131 H 0.9874 0.0596 -0.1537 0.0639 1.0000 Uiso R . . . . .
H141 H 0.7806 0.0364 -0.2876 0.0631 1.0000 Uiso R . . . . .
H151 H 0.5502 0.0561 -0.2702 0.0705 1.0000 Uiso R . . . . .
H161 H 0.2663 0.1169 0.0178 0.0500 1.0000 Uiso R . . . . .
H162 H 0.2075 0.1808 0.0900 0.0500 1.0000 Uiso R . . . . .
H201 H 0.5965 0.7548 0.1370 0.0477 1.0000 Uiso R . . . . .
H211 H 0.6886 0.9430 0.2304 0.0577 1.0000 Uiso R . . . . .
H221 H 0.9172 1.0220 0.3695 0.0546 1.0000 Uiso R . . . . .
H231 H 1.0476 0.9101 0.4169 0.0534 1.0000 Uiso R . . . . .
H241 H 0.9609 0.7222 0.3217 0.0475 1.0000 Uiso R . . . . .
H261 H 0.8747 0.4958 0.2900 0.0486 1.0000 Uiso R . . . . .
H271 H 0.8240 0.4349 0.4114 0.0591 1.0000 Uiso R . . . . .
H281 H 0.5842 0.4185 0.4362 0.0663 1.0000 Uiso R . . . . .
H291 H 0.3904 0.4580 0.3372 0.0668 1.0000 Uiso R . . . . .
H301 H 0.4406 0.5162 0.2144 0.0539 1.0000 Uiso R . . . . .
H321 H 0.7935 0.3822 0.1180 0.0473 1.0000 Uiso R . . . . .
H331 H 1.0154 0.3511 0.0932 0.0567 1.0000 Uiso R . . . . .
H341 H 1.2269 0.4938 0.0930 0.0573 1.0000 Uiso R . . . . .
H351 H 1.2193 0.6718 0.1184 0.0526 1.0000 Uiso R . . . . .
H361 H 1.0014 0.7063 0.1448 0.0466 1.0000 Uiso R . . . . .
H371 H 0.4360 0.7192 0.3040 0.0887 1.0000 Uiso R . . . . .
H381 H 0.5900 0.8895 0.4251 0.0916 1.0000 Uiso R . . . . .
H391 H 0.5212 0.9371 0.5608 0.1077 1.0000 Uiso R . . . . .
H401 H 0.2985 0.8109 0.5713 0.1270 1.0000 Uiso R . . . . .
H411 H 0.1474 0.6413 0.4486 0.1054 1.0000 Uiso R . . . . .
H421 H 0.2184 0.5943 0.3158 0.0852 1.0000 Uiso R . . . . .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
C 0.0033 0.0016 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
N 0.0061 0.0033 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
O 0.0106 0.0060 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089
0.2508 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
P 0.1023 0.0942 6.4345 1.9067 4.1791 27.1570 1.7800 0.5260 1.4908 68.1645
1.1149 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Pt -1.7033 8.3905 27.0059 1.5129 17.7639 8.8117 15.7131 0.4246 5.7837 38.6103
11.6883 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C18 2_665 Pt1 . P1 2_665 89.06(12) yes
C18 2_665 Pt1 . P1 . 90.94(12) yes
P1 2_665 Pt1 . P1 . 179.995 yes
C18 2_665 Pt1 . C18 . 179.994 yes
P1 2_665 Pt1 . C18 . 90.94(12) yes
P1 . Pt1 . C18 . 89.06(12) yes
Pt1 . P1 . C19 . 118.14(13) yes
Pt1 . P1 . C25 . 119.48(14) yes
C19 . P1 . C25 . 99.77(19) yes
Pt1 . P1 . C31 . 108.45(13) yes
C19 . P1 . C31 . 104.75(19) yes
C25 . P1 . C31 . 104.59(19) yes
C8 . O1 . C16 . 117.6(3) yes
C1 . N1 . C5 . 116.6(5) yes
C6 . N2 . C10 . 117.3(4) yes
C11 . N3 . C15 . 117.0(4) yes
N1 . C1 . C2 . 124.7(5) yes
N1 . C1 . H11 . 117.660 no
C2 . C1 . H11 . 117.636 no
C1 . C2 . C3 . 118.0(5) yes
C1 . C2 . H21 . 121.002 no
C3 . C2 . H21 . 120.996 no
C2 . C3 . C4 . 118.9(5) yes
C2 . C3 . H31 . 120.549 no
C4 . C3 . H31 . 120.528 no
C3 . C4 . C5 . 119.5(5) yes
C3 . C4 . H41 . 120.277 no
C5 . C4 . H41 . 120.235 no
C4 . C5 . N1 . 122.3(4) yes
C4 . C5 . C6 . 121.6(4) yes
N1 . C5 . C6 . 116.1(4) yes
C5 . C6 . N2 . 116.0(4) yes
C5 . C6 . C7 . 120.8(4) yes
N2 . C6 . C7 . 123.1(4) yes
C6 . C7 . C8 . 118.7(4) yes
C6 . C7 . H71 . 120.629 no
C8 . C7 . H71 . 120.636 no
C7 . C8 . O1 . 115.7(4) yes
C7 . C8 . C9 . 119.4(4) yes
O1 . C8 . C9 . 124.9(4) yes
C8 . C9 . C10 . 117.9(4) yes
C8 . C9 . H91 . 121.074 no
C10 . C9 . H91 . 121.047 no
C9 . C10 . N2 . 123.5(4) yes
C9 . C10 . C11 . 120.5(4) yes
N2 . C10 . C11 . 116.0(4) yes
C10 . C11 . N3 . 116.9(4) yes
C10 . C11 . C12 . 120.6(4) yes
N3 . C11 . C12 . 122.5(4) yes
C11 . C12 . C13 . 118.6(5) yes
C11 . C12 . H121 . 120.674 no
C13 . C12 . H121 . 120.733 no
C12 . C13 . C14 . 119.8(5) yes
C12 . C13 . H131 . 120.086 no
C14 . C13 . H131 . 120.120 no
C13 . C14 . C15 . 117.9(5) yes
C13 . C14 . H141 . 121.007 no
C15 . C14 . H141 . 121.065 no
C14 . C15 . N3 . 124.1(5) yes
C14 . C15 . H151 . 117.922 no
N3 . C15 . H151 . 117.930 no
O1 . C16 . C17 . 112.7(4) yes
O1 . C16 . H161 . 108.664 no
C17 . C16 . H161 . 108.660 no
O1 . C16 . H162 . 108.666 no
C17 . C16 . H162 . 108.696 no
H161 . C16 . H162 . 109.467 no
C16 . C17 . C18 . 175.8(4) yes
C17 . C18 . Pt1 . 176.5(4) yes
P1 . C19 . C20 . 122.2(3) yes
P1 . C19 . C24 . 118.7(3) yes
C20 . C19 . C24 . 119.0(4) yes
C19 . C20 . C21 . 120.5(4) yes
C19 . C20 . H201 . 119.753 no
C21 . C20 . H201 . 119.713 no
C20 . C21 . C22 . 120.5(4) yes
C20 . C21 . H211 . 119.734 no
C22 . C21 . H211 . 119.735 no
C21 . C22 . C23 . 119.4(4) yes
C21 . C22 . H221 . 120.271 no
C23 . C22 . H221 . 120.350 no
C22 . C23 . C24 . 120.6(5) yes
C22 . C23 . H231 . 119.705 no
C24 . C23 . H231 . 119.723 no
C19 . C24 . C23 . 120.0(4) yes
C19 . C24 . H241 . 120.020 no
C23 . C24 . H241 . 120.009 no
P1 . C25 . C26 . 123.6(3) yes
P1 . C25 . C30 . 117.6(3) yes
C26 . C25 . C30 . 118.6(4) yes
C25 . C26 . C27 . 120.8(4) yes
C25 . C26 . H261 . 119.603 no
C27 . C26 . H261 . 119.629 no
C26 . C27 . C28 . 120.0(5) yes
C26 . C27 . H271 . 119.993 no
C28 . C27 . H271 . 119.978 no
C27 . C28 . C29 . 120.2(4) yes
C27 . C28 . H281 . 119.910 no
C29 . C28 . H281 . 119.909 no
C28 . C29 . C30 . 119.3(5) yes
C28 . C29 . H291 . 120.374 no
C30 . C29 . H291 . 120.349 no
C29 . C30 . C25 . 121.2(4) yes
C29 . C30 . H301 . 119.424 no
C25 . C30 . H301 . 119.405 no
P1 . C31 . C32 . 119.0(3) yes
P1 . C31 . C36 . 121.5(3) yes
C32 . C31 . C36 . 119.4(4) yes
C31 . C32 . C33 . 119.3(4) yes
C31 . C32 . H321 . 120.332 no
C33 . C32 . H321 . 120.319 no
C32 . C33 . C34 . 121.1(4) yes
C32 . C33 . H331 . 119.444 no
C34 . C33 . H331 . 119.429 no
C33 . C34 . C35 . 119.4(4) yes
C33 . C34 . H341 . 120.275 no
C35 . C34 . H341 . 120.347 no
C34 . C35 . C36 . 120.7(5) yes
C34 . C35 . H351 . 119.641 no
C36 . C35 . H351 . 119.661 no
C31 . C36 . C35 . 120.0(4) yes
C31 . C36 . H361 . 119.970 no
C35 . C36 . H361 . 119.983 no
C38 . C37 . C42 . 120.9(7) yes
C38 . C37 . H371 . 119.577 no
C42 . C37 . H371 . 119.542 no
C37 . C38 . C39 . 119.6(8) yes
C37 . C38 . H381 . 120.228 no
C39 . C38 . H381 . 120.170 no
C38 . C39 . C40 . 119.4(8) yes
C38 . C39 . H391 . 120.373 no
C40 . C39 . H391 . 120.249 no
C39 . C40 . C41 . 119.7(7) yes
C39 . C40 . H401 . 120.118 no
C41 . C40 . H401 . 120.171 no
C40 . C41 . C42 . 120.7(8) yes
C40 . C41 . H411 . 119.654 no
C42 . C41 . H411 . 119.679 no
C41 . C42 . C37 . 119.8(7) yes
C41 . C42 . H421 . 120.152 no
C37 . C42 . H421 . 120.093 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Pt1 . C18 2_665 1.993(4) yes
Pt1 . P1 2_665 2.3175(10) yes
Pt1 . P1 . 2.3175(10) yes
Pt1 . C18 . 1.993(4) yes
P1 . C19 . 1.836(4) yes
P1 . C25 . 1.833(4) yes
P1 . C31 . 1.825(4) yes
O1 . C8 . 1.363(5) yes
O1 . C16 . 1.449(5) yes
N1 . C1 . 1.336(7) yes
N1 . C5 . 1.344(6) yes
N2 . C6 . 1.345(6) yes
N2 . C10 . 1.344(5) yes
N3 . C11 . 1.338(6) yes
N3 . C15 . 1.348(6) yes
C1 . C2 . 1.369(9) yes
C1 . H11 . 0.950 no
C2 . C3 . 1.367(9) yes
C2 . H21 . 0.950 no
C3 . C4 . 1.379(8) yes
C3 . H31 . 0.950 no
C4 . C5 . 1.377(7) yes
C4 . H41 . 0.950 no
C5 . C6 . 1.503(6) yes
C6 . C7 . 1.383(6) yes
C7 . C8 . 1.385(6) yes
C7 . H71 . 0.950 no
C8 . C9 . 1.387(6) yes
C9 . C10 . 1.393(6) yes
C9 . H91 . 0.950 no
C10 . C11 . 1.498(6) yes
C11 . C12 . 1.387(6) yes
C12 . C13 . 1.392(7) yes
C12 . H121 . 0.950 no
C13 . C14 . 1.358(8) yes
C13 . H131 . 0.950 no
C14 . C15 . 1.379(8) yes
C14 . H141 . 0.950 no
C15 . H151 . 0.950 no
C16 . C17 . 1.451(6) yes
C16 . H161 . 0.950 no
C16 . H162 . 0.950 no
C17 . C18 . 1.211(6) yes
C19 . C20 . 1.381(6) yes
C19 . C24 . 1.408(6) yes
C20 . C21 . 1.391(7) yes
C20 . H201 . 0.950 no
C21 . C22 . 1.393(7) yes
C21 . H211 . 0.950 no
C22 . C23 . 1.375(7) yes
C22 . H221 . 0.950 no
C23 . C24 . 1.397(7) yes
C23 . H231 . 0.950 no
C24 . H241 . 0.950 no
C25 . C26 . 1.376(6) yes
C25 . C30 . 1.386(6) yes
C26 . C27 . 1.392(6) yes
C26 . H261 . 0.950 no
C27 . C28 . 1.374(8) yes
C27 . H271 . 0.950 no
C28 . C29 . 1.379(8) yes
C28 . H281 . 0.950 no
C29 . C30 . 1.391(7) yes
C29 . H291 . 0.950 no
C30 . H301 . 0.950 no
C31 . C32 . 1.403(6) yes
C31 . C36 . 1.381(6) yes
C32 . C33 . 1.385(6) yes
C32 . H321 . 0.950 no
C33 . C34 . 1.362(8) yes
C33 . H331 . 0.950 no
C34 . C35 . 1.389(8) yes
C34 . H341 . 0.950 no
C35 . C36 . 1.377(7) yes
C35 . H351 . 0.950 no
C36 . H361 . 0.950 no
C37 . C38 . 1.362(10) yes
C37 . C42 . 1.357(10) yes
C37 . H371 . 0.950 no
C38 . C39 . 1.397(11) yes
C38 . H381 . 0.950 no
C39 . C40 . 1.378(13) yes
C39 . H391 . 0.950 no
C40 . C41 . 1.364(13) yes
C40 . H401 . 0.950 no
C41 . C42 . 1.377(11) yes
C41 . H411 . 0.950 no
C42 . H421 . 0.950 no
