#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:11:35 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179779 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/75/7007569.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_7007569
loop_
_publ_author_name
'Jones, Cameron'
'Schulten, Christian'
'Stasch, Andreas'
_publ_section_title
;
 The first complexes and cyclodimerisations of methylphosphaalkyne
 (P[triple bond]CMe).
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3733
_journal_page_last               3735
_journal_paper_doi               10.1039/b607489h
_journal_year                    2006
_chemical_formula_sum            'C58 H61 O P5 Pt2'
_chemical_formula_weight         1319.10
_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                90.00
_cell_angle_beta                 95.08(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.450(3)
_cell_length_b                   17.802(4)
_cell_length_c                   22.023(4)
_cell_measurement_temperature    150(2)
_cell_volume                     5252.4(19)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0300
_diffrn_reflns_av_sigmaI/netI    0.0436
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            20104
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.01
_exptl_absorpt_coefficient_mu    5.512
_exptl_absorpt_correction_T_max  0.952
_exptl_absorpt_correction_T_min  0.603
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sortav (Blessing, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.668
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2592
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.689
_refine_diff_density_min         -0.802
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     627
_refine_ls_number_reflns         10300
_refine_ls_number_restraints     28
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0375
_refine_ls_R_factor_gt           0.0277
_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)+(0.0082P)²+8.1388P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0504
_refine_ls_wR_factor_ref         0.0526
_reflns_number_gt                8883
_reflns_number_total             10300
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b607489h.txt
_cod_data_source_block           compound3
_cod_original_cell_volume        5252.7(18)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7007569
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
Pt1 Pt 0.726148(11) 0.854327(8) 0.821860(6) 0.01761(4) Uani 1 1 d . . .
P1 P 0.57651(16) 0.85784(11) 0.75660(8) 0.0185(5) Uani 0.738(5) 1 d PDU A 1
O1 O 0.2462(3) 0.6336(2) 1.10544(16) 0.0520(9) Uani 1 1 d . . .
C1 C 0.5754(10) 0.8511(6) 0.8351(5) 0.018(3) Uani 0.738(5) 1 d PDU A 1
Pt2 Pt 0.555283(11) 0.742228(8) 0.805025(6) 0.01610(4) Uani 1 1 d . . .
P2 P 0.83486(8) 0.87725(6) 0.90379(4) 0.0204(2) Uani 1 1 d . A .
C2 C 0.5167(4) 0.8848(3) 0.8854(2) 0.0262(14) Uani 0.738(5) 1 d PD A 1
H2A H 0.5335 0.9382 0.8905 0.039 Uiso 0.738(5) 1 calc PR A 1
H2B H 0.5344 0.8583 0.9238 0.039 Uiso 0.738(5) 1 calc PR A 1
H2C H 0.4450 0.8795 0.8740 0.039 Uiso 0.738(5) 1 calc PR A 1
P3 P 0.86000(8) 0.85237(6) 0.76652(4) 0.0211(2) Uani 1 1 d . A .
C3 C 0.9446(3) 0.9191(2) 0.87130(17) 0.0263(9) Uani 1 1 d . . .
H3A H 0.9283 0.9703 0.8559 0.032 Uiso 1 1 calc R A .
H3B H 1.0013 0.9226 0.9030 0.032 Uiso 1 1 calc R . .
P4 P 0.49597(7) 0.67418(5) 0.87998(4) 0.0181(2) Uani 1 1 d . A .
C4 C 0.9725(3) 0.8687(2) 0.81907(17) 0.0259(9) Uani 1 1 d . A .
H4A H 0.9991 0.8202 0.8355 0.031 Uiso 1 1 calc R . .
H4B H 1.0247 0.8933 0.7971 0.031 Uiso 1 1 calc R . .
P5 P 0.54196(8) 0.63607(5) 0.74852(4) 0.0189(2) Uani 1 1 d . A .
C5 C 0.8060(3) 0.9414(2) 0.96412(17) 0.0242(9) Uani 1 1 d . . .
C6 C 0.8518(3) 1.0108(2) 0.9742(2) 0.0332(10) Uani 1 1 d . A .
H6 H 0.9034 1.0257 0.9500 0.040 Uiso 1 1 calc R . .
C7 C 0.8229(3) 1.0586(3) 1.0194(2) 0.0398(12) Uani 1 1 d . . .
H7 H 0.8539 1.1063 1.0253 0.048 Uiso 1 1 calc R A .
C8 C 0.7495(4) 1.0370(3) 1.05561(19) 0.0384(12) Uani 1 1 d . A .
H8 H 0.7305 1.0697 1.0867 0.046 Uiso 1 1 calc R . .
C9 C 0.7036(4) 0.9685(3) 1.04697(18) 0.0364(11) Uani 1 1 d . . .
H9 H 0.6537 0.9533 1.0723 0.044 Uiso 1 1 calc R A .
C10 C 0.7308(3) 0.9213(2) 1.00072(18) 0.0293(10) Uani 1 1 d . A .
H10 H 0.6974 0.8747 0.9940 0.035 Uiso 1 1 calc R . .
C11 C 0.8947(3) 0.7986(2) 0.94695(17) 0.0224(9) Uani 1 1 d . . .
C12 C 0.9472(3) 0.8078(2) 1.00369(18) 0.0268(9) Uani 1 1 d . A .
H12 H 0.9504 0.8560 1.0222 0.032 Uiso 1 1 calc R . .
C13 C 0.9949(3) 0.7477(3) 1.03362(19) 0.0342(11) Uani 1 1 d . . .
H13 H 1.0303 0.7548 1.0725 0.041 Uiso 1 1 calc R A .
C14 C 0.9911(3) 0.6776(3) 1.0071(2) 0.0355(11) Uani 1 1 d . A .
H14 H 1.0250 0.6365 1.0272 0.043 Uiso 1 1 calc R . .
C15 C 0.9376(3) 0.6670(2) 0.9510(2) 0.0331(11) Uani 1 1 d . . .
H15 H 0.9339 0.6185 0.9330 0.040 Uiso 1 1 calc R A .
C16 C 0.8894(3) 0.7276(2) 0.92081(18) 0.0257(9) Uani 1 1 d . A .
H16 H 0.8529 0.7202 0.8823 0.031 Uiso 1 1 calc R . .
C17 C 0.8668(3) 0.9271(2) 0.71002(18) 0.0241(9) Uani 1 1 d . . .
C18 C 0.8152(3) 0.9929(2) 0.7179(2) 0.0390(12) Uani 1 1 d . A .
H18 H 0.7747 0.9972 0.7509 0.047 Uiso 1 1 calc R . .
C19 C 0.8215(4) 1.0527(3) 0.6783(2) 0.0456(13) Uani 1 1 d . . .
H19 H 0.7869 1.0980 0.6850 0.055 Uiso 1 1 calc R A .
C20 C 0.8775(3) 1.0468(3) 0.6296(2) 0.0410(12) Uani 1 1 d . A .
H20 H 0.8809 1.0876 0.6020 0.049 Uiso 1 1 calc R . .
C21 C 0.9288(4) 0.9815(3) 0.6209(2) 0.0401(12) Uani 1 1 d . . .
H21 H 0.9677 0.9773 0.5870 0.048 Uiso 1 1 calc R A .
C22 C 0.9246(3) 0.9219(2) 0.66069(19) 0.0329(10) Uani 1 1 d . A .
H22 H 0.9611 0.8773 0.6545 0.039 Uiso 1 1 calc R . .
C23 C 0.8857(3) 0.7675(2) 0.72441(18) 0.0248(9) Uani 1 1 d . . .
C24 C 0.9763(4) 0.7297(3) 0.7284(2) 0.0445(13) Uani 1 1 d . A .
H24 H 1.0314 0.7493 0.7534 0.053 Uiso 1 1 calc R . .
C25 C 0.9873(4) 0.6631(3) 0.6959(2) 0.0499(14) Uani 1 1 d . . .
H25 H 1.0495 0.6375 0.6992 0.060 Uiso 1 1 calc R A .
C26 C 0.9082(4) 0.6347(3) 0.6592(2) 0.0438(13) Uani 1 1 d . A .
H26 H 0.9156 0.5894 0.6373 0.053 Uiso 1 1 calc R . .
C27 C 0.8183(4) 0.6721(3) 0.6544(2) 0.0391(12) Uani 1 1 d . . .
H27 H 0.7641 0.6533 0.6282 0.047 Uiso 1 1 calc R A .
C28 C 0.8068(3) 0.7369(2) 0.68742(19) 0.0311(10) Uani 1 1 d . A .
H28 H 0.7436 0.7611 0.6848 0.037 Uiso 1 1 calc R . .
C29 C 0.4700(3) 0.5774(2) 0.85222(17) 0.0229(9) Uani 1 1 d . . .
H29A H 0.5282 0.5449 0.8643 0.027 Uiso 1 1 calc R A .
H29B H 0.4117 0.5571 0.8713 0.027 Uiso 1 1 calc R . .
C30 C 0.4487(3) 0.5763(2) 0.78265(16) 0.0214(9) Uani 1 1 d . A .
H30A H 0.3806 0.5956 0.7711 0.026 Uiso 1 1 calc R . .
H30B H 0.4527 0.5242 0.7674 0.026 Uiso 1 1 calc R . .
C31 C 0.3722(3) 0.7067(2) 0.89768(17) 0.0197(8) Uani 1 1 d . . .
C32 C 0.3148(3) 0.7433(2) 0.85126(19) 0.0256(9) Uani 1 1 d . A .
H32 H 0.3417 0.7528 0.8136 0.031 Uiso 1 1 calc R . .
C33 C 0.2182(3) 0.7661(2) 0.85967(19) 0.0282(10) Uani 1 1 d . . .
H33 H 0.1793 0.7906 0.8274 0.034 Uiso 1 1 calc R A .
C34 C 0.1782(3) 0.7536(2) 0.91456(19) 0.0274(10) Uani 1 1 d . A .
H34 H 0.1117 0.7684 0.9199 0.033 Uiso 1 1 calc R . .
C35 C 0.2358(3) 0.7193(2) 0.96139(19) 0.0286(10) Uani 1 1 d . . .
H35 H 0.2094 0.7115 0.9995 0.034 Uiso 1 1 calc R A .
C36 C 0.3323(3) 0.6959(2) 0.95343(18) 0.0279(10) Uani 1 1 d . A .
H36 H 0.3714 0.6725 0.9861 0.033 Uiso 1 1 calc R . .
C37 C 0.5672(3) 0.6590(2) 0.95331(17) 0.0203(8) Uani 1 1 d . . .
C38 C 0.6515(3) 0.7027(2) 0.96736(17) 0.0224(9) Uani 1 1 d . A .
H38 H 0.6699 0.7396 0.9393 0.027 Uiso 1 1 calc R . .
C39 C 0.7091(3) 0.6928(2) 1.02242(19) 0.0306(10) Uani 1 1 d . . .
H39 H 0.7665 0.7231 1.0318 0.037 Uiso 1 1 calc R A .
C40 C 0.6835(3) 0.6394(2) 1.06340(19) 0.0343(11) Uani 1 1 d . A .
H40 H 0.7228 0.6330 1.1011 0.041 Uiso 1 1 calc R . .
C41 C 0.6000(3) 0.5952(2) 1.04925(19) 0.0344(11) Uani 1 1 d . . .
H41 H 0.5819 0.5585 1.0776 0.041 Uiso 1 1 calc R A .
C42 C 0.5430(3) 0.6039(2) 0.99454(18) 0.0282(10) Uani 1 1 d . A .
H42 H 0.4869 0.5722 0.9849 0.034 Uiso 1 1 calc R . .
C43 C 0.6534(3) 0.5762(2) 0.75368(16) 0.0219(9) Uani 1 1 d . . .
C44 C 0.7378(3) 0.6018(2) 0.78823(17) 0.0264(9) Uani 1 1 d . A .
H44 H 0.7373 0.6495 0.8075 0.032 Uiso 1 1 calc R . .
C45 C 0.8230(3) 0.5575(3) 0.7946(2) 0.0382(11) Uani 1 1 d . . .
H45 H 0.8807 0.5753 0.8182 0.046 Uiso 1 1 calc R A .
C46 C 0.8248(4) 0.4881(3) 0.7672(2) 0.0474(14) Uani 1 1 d . A .
H46 H 0.8833 0.4581 0.7719 0.057 Uiso 1 1 calc R . .
C47 C 0.7404(4) 0.4625(3) 0.7326(2) 0.0447(13) Uani 1 1 d . . .
H47 H 0.7414 0.4148 0.7133 0.054 Uiso 1 1 calc R A .
C48 C 0.6545(3) 0.5061(2) 0.72598(18) 0.0324(10) Uani 1 1 d . A .
H48 H 0.5967 0.4881 0.7026 0.039 Uiso 1 1 calc R . .
C49 C 0.4981(3) 0.6346(2) 0.66759(17) 0.0210(9) Uani 1 1 d . . .
C50 C 0.5299(3) 0.6918(2) 0.63094(18) 0.0286(10) Uani 1 1 d . A .
H50 H 0.5740 0.7292 0.6484 0.034 Uiso 1 1 calc R . .
C51 C 0.4984(3) 0.6950(2) 0.56945(19) 0.0340(11) Uani 1 1 d . . .
H51 H 0.5213 0.7340 0.5447 0.041 Uiso 1 1 calc R A .
C52 C 0.4336(3) 0.6413(2) 0.5444(2) 0.0366(11) Uani 1 1 d . A .
H52 H 0.4115 0.6432 0.5023 0.044 Uiso 1 1 calc R . .
C53 C 0.4009(4) 0.5850(3) 0.5804(2) 0.0420(12) Uani 1 1 d . . .
H53 H 0.3561 0.5481 0.5629 0.050 Uiso 1 1 calc R A .
C54 C 0.4327(3) 0.5816(2) 0.64159(19) 0.0338(11) Uani 1 1 d . A .
H54 H 0.4094 0.5425 0.6660 0.041 Uiso 1 1 calc R . .
C55 C 0.3072(5) 0.6810(4) 1.1457(3) 0.0734(19) Uani 1 1 d . . .
H55A H 0.3683 0.6952 1.1264 0.088 Uiso 1 1 calc R . .
H55B H 0.3277 0.6535 1.1839 0.088 Uiso 1 1 calc R . .
C56 C 0.2520(6) 0.7491(4) 1.1599(3) 0.097(3) Uani 1 1 d . . .
H56A H 0.2331 0.7768 1.1222 0.145 Uiso 1 1 calc R . .
H56B H 0.2944 0.7809 1.1878 0.145 Uiso 1 1 calc R . .
H56C H 0.1918 0.7350 1.1792 0.145 Uiso 1 1 calc R . .
C57 C 0.2921(4) 0.5648(3) 1.0924(3) 0.0601(17) Uani 1 1 d . . .
H57A H 0.3089 0.5367 1.1307 0.072 Uiso 1 1 calc R . .
H57B H 0.3547 0.5746 1.0733 0.072 Uiso 1 1 calc R . .
C58 C 0.2233(5) 0.5199(3) 1.0507(3) 0.0729(19) Uani 1 1 d . . .
H58A H 0.1621 0.5095 1.0702 0.109 Uiso 1 1 calc R . .
H58B H 0.2556 0.4724 1.0414 0.109 Uiso 1 1 calc R . .
H58C H 0.2069 0.5480 1.0129 0.109 Uiso 1 1 calc R . .
C2A C 0.5768(11) 0.8726(8) 0.7027(6) 0.022(4) Uani 0.262(5) 1 d PD A 2
H2A1 H 0.5046 0.8687 0.6928 0.033 Uiso 0.262(5) 1 calc PR A 2
H2A2 H 0.6113 0.8411 0.6747 0.033 Uiso 0.262(5) 1 calc PR A 2
H2A3 H 0.5976 0.9250 0.6986 0.033 Uiso 0.262(5) 1 calc PR A 2
C1A C 0.604(2) 0.8461(18) 0.7686(8) 0.072(15) Uani 0.262(5) 1 d PDU A 2
P1A P 0.5603(8) 0.8696(5) 0.8391(4) 0.0127(17) Uani 0.262(5) 1 d PDU A 2
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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
C1A Pt1 C1 45.2(7) . . ?
C1A Pt1 P2 162.1(6) . . ?
C1 Pt1 P2 117.7(3) . . ?
C1A Pt1 P3 110.3(6) . . ?
C1 Pt1 P3 155.5(3) . . ?
P2 Pt1 P3 86.75(4) . . ?
C1A Pt1 P1A 47.8(6) . . ?
C1 Pt1 P1A 8.4(5) . . ?
P2 Pt1 P1A 114.5(2) . . ?
P3 Pt1 P1A 156.3(2) . . ?
C1A Pt1 P1 5.8(10) . . ?
C1 Pt1 P1 45.4(3) . . ?
P2 Pt1 P1 159.41(5) . . ?
P3 Pt1 P1 110.35(5) . . ?
P1A Pt1 P1 46.8(2) . . ?
C1 P1 Pt2 58.3(4) . . ?
C1 P1 Pt1 58.4(5) . . ?
Pt2 P1 Pt1 80.34(7) . . ?
C57 O1 C55 113.6(5) . . ?
C2 C1 P1 137.9(8) . . ?
C2 C1 Pt2 122.6(8) . . ?
P1 C1 Pt2 75.9(4) . . ?
C2 C1 Pt1 131.3(9) . . ?
P1 C1 Pt1 76.3(5) . . ?
Pt2 C1 Pt1 94.7(4) . . ?
C1 Pt2 C1A 43.2(7) . . ?
C1 Pt2 P4 108.4(3) . . ?
C1A Pt2 P4 151.6(5) . . ?
C1 Pt2 P5 165.0(3) . . ?
C1A Pt2 P5 121.9(5) . . ?
P4 Pt2 P5 86.43(4) . . ?
C1 Pt2 P1 45.8(3) . . ?
C1A Pt2 P1 11.1(8) . . ?
P4 Pt2 P1 150.55(5) . . ?
P5 Pt2 P1 119.33(5) . . ?
C1 Pt2 P1A 5.9(6) . . ?
C1A Pt2 P1A 45.2(5) . . ?
P4 Pt2 P1A 106.4(2) . . ?
P5 Pt2 P1A 164.9(2) . . ?
P1 Pt2 P1A 46.3(2) . . ?
C5 P2 C11 102.26(18) . . ?
C5 P2 C3 104.99(19) . . ?
C11 P2 C3 100.29(18) . . ?
C5 P2 Pt1 122.16(13) . . ?
C11 P2 Pt1 119.93(13) . . ?
C3 P2 Pt1 104.23(13) . . ?
C23 P3 C17 103.50(18) . . ?
C23 P3 C4 105.55(19) . . ?
C17 P3 C4 102.95(18) . . ?
C23 P3 Pt1 118.89(13) . . ?
C17 P3 Pt1 116.46(13) . . ?
C4 P3 Pt1 107.90(13) . . ?
C4 C3 P2 108.2(3) . . ?
C37 P4 C31 105.90(17) . . ?
C37 P4 C29 102.89(17) . . ?
C31 P4 C29 102.44(18) . . ?
C37 P4 Pt2 122.49(13) . . ?
C31 P4 Pt2 111.89(12) . . ?
C29 P4 Pt2 109.13(13) . . ?
C3 C4 P3 108.8(3) . . ?
C49 P5 C43 104.09(17) . . ?
C49 P5 C30 102.43(18) . . ?
C43 P5 C30 102.71(18) . . ?
C49 P5 Pt2 123.51(13) . . ?
C43 P5 Pt2 115.27(13) . . ?
C30 P5 Pt2 106.26(12) . . ?
C6 C5 C10 118.0(4) . . ?
C6 C5 P2 123.7(3) . . ?
C10 C5 P2 118.3(3) . . ?
C5 C6 C7 120.7(4) . . ?
C8 C7 C6 120.2(4) . . ?
C9 C8 C7 120.3(4) . . ?
C8 C9 C10 119.5(4) . . ?
C9 C10 C5 121.3(4) . . ?
C16 C11 C12 118.9(4) . . ?
C16 C11 P2 118.4(3) . . ?
C12 C11 P2 122.6(3) . . ?
C13 C12 C11 120.9(4) . . ?
C14 C13 C12 120.1(4) . . ?
C13 C14 C15 119.8(4) . . ?
C14 C15 C16 120.2(4) . . ?
C11 C16 C15 120.1(4) . . ?
C18 C17 C22 118.4(4) . . ?
C18 C17 P3 118.4(3) . . ?
C22 C17 P3 123.2(3) . . ?
C17 C18 C19 121.0(4) . . ?
C20 C19 C18 120.3(4) . . ?
C19 C20 C21 119.4(4) . . ?
C20 C21 C22 120.8(4) . . ?
C21 C22 C17 120.1(4) . . ?
C24 C23 C28 117.9(4) . . ?
C24 C23 P3 125.1(3) . . ?
C28 C23 P3 117.0(3) . . ?
C23 C24 C25 120.7(5) . . ?
C26 C25 C24 120.1(5) . . ?
C25 C26 C27 119.8(5) . . ?
C26 C27 C28 120.2(5) . . ?
C27 C28 C23 121.4(4) . . ?
C30 C29 P4 110.8(2) . . ?
C29 C30 P5 108.9(2) . . ?
C32 C31 C36 118.7(4) . . ?
C32 C31 P4 116.6(3) . . ?
C36 C31 P4 124.7(3) . . ?
C31 C32 C33 120.3(4) . . ?
C34 C33 C32 120.7(4) . . ?
C35 C34 C33 119.3(4) . . ?
C34 C35 C36 120.6(4) . . ?
C35 C36 C31 120.4(4) . . ?
C38 C37 C42 118.9(4) . . ?
C38 C37 P4 117.9(3) . . ?
C42 C37 P4 123.1(3) . . ?
C37 C38 C39 120.2(4) . . ?
C40 C39 C38 120.5(4) . . ?
C39 C40 C41 119.3(4) . . ?
C42 C41 C40 120.7(4) . . ?
C41 C42 C37 120.2(4) . . ?
C44 C43 C48 119.7(4) . . ?
C44 C43 P5 117.9(3) . . ?
C48 C43 P5 122.3(3) . . ?
C43 C44 C45 119.9(4) . . ?
C46 C45 C44 120.8(4) . . ?
C45 C46 C47 119.4(4) . . ?
C46 C47 C48 120.4(4) . . ?
C43 C48 C47 119.8(4) . . ?
C54 C49 C50 118.5(4) . . ?
C54 C49 P5 123.7(3) . . ?
C50 C49 P5 117.8(3) . . ?
C51 C50 C49 121.0(4) . . ?
C52 C51 C50 119.5(4) . . ?
C53 C52 C51 120.0(4) . . ?
C52 C53 C54 120.5(4) . . ?
C49 C54 C53 120.5(4) . . ?
O1 C55 C56 110.2(5) . . ?
O1 C57 C58 109.6(5) . . ?
C2A C1A P1A 133.9(19) . . ?
C2A C1A Pt1 131(2) . . ?
P1A C1A Pt1 77.2(10) . . ?
C2A C1A Pt2 124(2) . . ?
P1A C1A Pt2 74.9(10) . . ?
Pt1 C1A Pt2 96.2(10) . . ?
C1A P1A Pt1 55.0(11) . . ?
C1A P1A Pt2 59.9(11) . . ?
Pt1 P1A Pt2 80.7(3) . . ?
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
Pt1 C1A 1.94(3) . ?
Pt1 C1 2.075(13) . ?
Pt1 P2 2.2568(12) . ?
Pt1 P3 2.2618(12) . ?
Pt1 P1A 2.312(10) . ?
Pt1 P1 2.368(2) . ?
P1 C1 1.734(12) . ?
P1 Pt2 2.347(2) . ?
O1 C57 1.412(6) . ?
O1 C55 1.430(7) . ?
C1 C2 1.537(10) . ?
C1 Pt2 2.059(11) . ?
Pt2 C1A 2.14(3) . ?
Pt2 P4 2.2498(10) . ?
Pt2 P5 2.2611(10) . ?
Pt2 P1A 2.387(9) . ?
P2 C5 1.819(4) . ?
P2 C11 1.838(4) . ?
P2 C3 1.852(4) . ?
P3 C23 1.822(4) . ?
P3 C17 1.830(4) . ?
P3 C4 1.845(4) . ?
C3 C4 1.531(5) . ?
P4 C37 1.824(4) . ?
P4 C31 1.837(4) . ?
P4 C29 1.851(4) . ?
P5 C49 1.828(4) . ?
P5 C43 1.834(4) . ?
P5 C30 1.854(4) . ?
C5 C6 1.390(5) . ?
C5 C10 1.394(6) . ?
C6 C7 1.391(6) . ?
C7 C8 1.378(7) . ?
C8 C9 1.373(6) . ?
C9 C10 1.393(6) . ?
C11 C16 1.388(5) . ?
C11 C12 1.389(5) . ?
C12 C13 1.385(6) . ?
C13 C14 1.376(6) . ?
C14 C15 1.387(6) . ?
C15 C16 1.396(6) . ?
C17 C18 1.381(6) . ?
C17 C22 1.393(6) . ?
C18 C19 1.382(6) . ?
C19 C20 1.370(6) . ?
C20 C21 1.374(6) . ?
C21 C22 1.381(6) . ?
C23 C24 1.388(6) . ?
C23 C28 1.391(6) . ?
C24 C25 1.399(6) . ?
C25 C26 1.374(7) . ?
C26 C27 1.376(7) . ?
C27 C28 1.379(6) . ?
C29 C30 1.534(5) . ?
C31 C32 1.388(5) . ?
C31 C36 1.396(5) . ?
C32 C33 1.388(6) . ?
C33 C34 1.384(6) . ?
C34 C35 1.377(6) . ?
C35 C36 1.388(6) . ?
C37 C38 1.388(5) . ?
C37 C42 1.395(5) . ?
C38 C39 1.391(5) . ?
C39 C40 1.375(6) . ?
C40 C41 1.384(6) . ?
C41 C42 1.379(5) . ?
C43 C44 1.387(5) . ?
C43 C48 1.389(5) . ?
C44 C45 1.387(6) . ?
C45 C46 1.376(7) . ?
C46 C47 1.387(7) . ?
C47 C48 1.389(6) . ?
C49 C54 1.378(5) . ?
C49 C50 1.391(5) . ?
C50 C51 1.384(5) . ?
C51 C52 1.375(6) . ?
C52 C53 1.374(6) . ?
C53 C54 1.380(6) . ?
C55 C56 1.469(9) . ?
C57 C58 1.480(8) . ?
C2A C1A 1.539(17) . ?
C1A P1A 1.755(17) . ?
