#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/02/19/4021908.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_4021908
loop_
_publ_author_name
'Feihe Huang'
'Hai-Bo Yang'
'Neeladri Das'
'Umamageswaran Maran'
'Atta M. Arif'
'Harry W. Gibson'
'Peter J. Stang'
_publ_contact_author_address
;
Department of Chemistry 
Yuquan Campus
Zhejiang University
Hangzhou 310027, P. R. China
;
_publ_contact_author_email       fhuang@zju.edu.cn
_publ_contact_author_fax         86-571-87951895
_publ_contact_author_name        'Feihe Huang'
_publ_contact_author_phone       86-571-87953189
_publ_section_title
;
 Incorporating a Flexible Crown Ether into Neutral Discrete
 Self-Assemblies Driven by Metal Coordination
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6623
_journal_page_last               6625
_journal_paper_doi               10.1021/jo061007n
_journal_volume                  71
_journal_year                    2006
_chemical_formula_moiety         'C68 H106 O14 P4 Pt2,0.5(C5 H12)'
_chemical_formula_sum            'C70.5 H112 O14 P4 Pt2'
_chemical_formula_weight         1697.66
_chemical_name_systematic
; 
 ? 
;
_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
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                106.507(3)
_cell_angle_beta                 96.998(4)
_cell_angle_gamma                102.985(3)
_cell_formula_units_Z            2
_cell_length_a                   12.4457(6)
_cell_length_b                   15.6835(9)
_cell_length_c                   20.4400(10)
_cell_measurement_reflns_used    10082
_cell_measurement_temperature    150(1)
_cell_measurement_theta_max      25.028
_cell_measurement_theta_min      1.018
_cell_volume                     3653.1(3)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'WinGX, Ortep3'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      150(1)
_diffrn_measured_fraction_theta_full 0.959
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device_type  'Nonius KappaCCD Diffractomer'
_diffrn_measurement_method       'Phi and Omega scan'
_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  0.0503
_diffrn_reflns_av_sigmaI/netI    0.0640
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            19805
_diffrn_reflns_theta_full        24.98
_diffrn_reflns_theta_max         24.98
_diffrn_reflns_theta_min         1.83
_exptl_absorpt_coefficient_mu    3.973
_exptl_absorpt_correction_T_max  0.8261
_exptl_absorpt_correction_T_min  0.3819
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'DENZO-SMN (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.543
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1726
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.825
_refine_diff_density_min         -2.277
_refine_diff_density_rms         0.168
_refine_ls_extinction_coef       0.0021(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     772
_refine_ls_number_reflns         12289
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.1041
_refine_ls_R_factor_gt           0.0718
_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)+(0.1071P)²+27.6042P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1813
_refine_ls_wR_factor_ref         0.2116
_reflns_number_gt                8831
_reflns_number_total             12289
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo061007nsi20060602_061408.cif
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C70.50 H112 O14 P4 Pt2'
_cod_database_code               4021908
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_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 0.12018(4) 0.79485(3) 0.14332(2) 0.04931(18) Uani 0.95 1 d P A .
Pt2 Pt 0.52615(4) 1.04339(4) 0.26698(3) 0.05523(19) Uani 0.95 1 d P A .
P1 P 0.1029(3) 0.7322(2) 0.02440(18) 0.0660(9) Uani 1 1 d . . .
P2 P 0.1088(5) 0.8496(3) 0.2580(2) 0.0891(14) Uani 1 1 d . . .
P3 P 0.5020(3) 1.1565(3) 0.36079(19) 0.0672(9) Uani 1 1 d . . .
P4 P 0.5734(4) 0.9448(3) 0.1754(2) 0.0803(11) Uani 1 1 d . . .
O1 O 0.1724(7) 0.6828(6) 0.1599(4) 0.063(2) Uani 1 1 d . . .
O2 O 0.0038(9) 0.5912(6) 0.1518(6) 0.080(3) Uani 1 1 d . . .
O3 O 0.4330(12) 0.4741(11) 0.1762(9) 0.133(5) Uani 1 1 d . A .
O4 O 0.6681(14) 0.5087(12) 0.2149(10) 0.146(6) Uani 1 1 d . . .
O5 O 0.8715(18) 0.5315(14) 0.3143(12) 0.219(12) Uani 1 1 d . . .
O6 O 0.9822(12) 0.6866(10) 0.4320(6) 0.119(5) Uani 1 1 d . . .
O7 O 0.9635(8) 0.8782(8) 0.4733(5) 0.083(3) Uani 1 1 d . . .
O8 O 0.5913(10) 0.6690(8) 0.3672(8) 0.109(4) Uani 1 1 d . A .
O9 O 0.4607(11) 0.4908(10) 0.3939(7) 0.116(4) Uani 1 1 d . . .
O10 O 0.2229(12) 0.4489(9) 0.4041(7) 0.111(4) Uani 1 1 d . . .
O11 O 0.0737(12) 0.2541(12) 0.3548(11) 0.138(6) Uani 1 1 d . . .
O12 O 0.0973(10) 0.3407(8) 0.2337(7) 0.106(4) Uani 1 1 d . A .
O13 O 0.5708(8) 0.9625(6) 0.3266(5) 0.070(2) Uani 1 1 d . . .
O14 O 0.7366(9) 1.0607(9) 0.3869(8) 0.108(4) Uani 1 1 d . . .
C1 C 0.1068(11) 0.6101(8) 0.1623(6) 0.056(3) Uani 1 1 d . A .
C2 C 0.1661(11) 0.5415(7) 0.1799(6) 0.053(3) Uani 1 1 d . . .
C3 C 0.2782(12) 0.5507(11) 0.1766(8) 0.077(4) Uani 1 1 d . A .
H3 H 0.3204 0.6015 0.1656 0.092 Uiso 1 1 calc R . .
C4 C 0.3291(14) 0.4845(13) 0.1897(10) 0.094(5) Uani 1 1 d . . .
C5 C 0.2741(13) 0.4161(11) 0.2095(7) 0.077(4) Uani 1 1 d . A .
H5 H 0.3109 0.3729 0.2193 0.092 Uiso 1 1 calc R . .
C6 C 0.1670(13) 0.4081(8) 0.2154(7) 0.066(3) Uani 1 1 d . . .
C7 C 0.1063(12) 0.4696(8) 0.1975(6) 0.062(3) Uani 1 1 d . A .
H7 H 0.0283 0.4604 0.1979 0.075 Uiso 1 1 calc R . .
C8 C 0.505(2) 0.5493(15) 0.1634(16) 0.140(9) Uani 1 1 d . . .
H8A H 0.5247 0.6055 0.2048 0.168 Uiso 1 1 calc R A .
H8B H 0.4679 0.5627 0.1233 0.168 Uiso 1 1 calc R . .
C9 C 0.612(2) 0.519(2) 0.1474(19) 0.172(13) Uani 1 1 d . A .
H9A H 0.5920 0.4593 0.1090 0.206 Uiso 1 1 calc R . .
H9B H 0.6638 0.5660 0.1339 0.206 Uiso 1 1 calc R . .
C10 C 0.764(2) 0.4771(19) 0.2007(14) 0.147(9) Uiso 1 1 d . . .
H10A H 0.8211 0.5252 0.1915 0.177 Uiso 1 1 calc R . .
H10B H 0.7425 0.4207 0.1594 0.177 Uiso 1 1 calc R . .
C11 C 0.811(2) 0.4564(19) 0.2642(14) 0.153(9) Uiso 1 1 d . . .
H11A H 0.7476 0.4251 0.2817 0.183 Uiso 1 1 calc R . .
H11B H 0.8577 0.4135 0.2510 0.183 Uiso 1 1 calc R . .
C12 C 0.958(2) 0.5383(17) 0.3611(14) 0.154(10) Uani 1 1 d . . .
H12A H 1.0020 0.4995 0.3360 0.185 Uiso 1 1 calc R . .
H12B H 0.9261 0.5072 0.3931 0.185 Uiso 1 1 calc R . .
C13 C 1.032(2) 0.6164(16) 0.4013(13) 0.125(7) Uiso 1 1 d . . .
H13A H 1.0836 0.6392 0.3731 0.150 Uiso 1 1 calc R . .
H13B H 1.0770 0.6032 0.4387 0.150 Uiso 1 1 calc R . .
C14 C 1.0573(13) 0.7702(15) 0.4815(10) 0.104(6) Uani 1 1 d . . .
H14A H 1.1055 0.7542 0.5159 0.124 Uiso 1 1 calc R . .
H14B H 1.1068 0.8032 0.4569 0.124 Uiso 1 1 calc R . .
C15 C 0.9954(14) 0.8291(12) 0.5168(8) 0.089(5) Uani 1 1 d . . .
H15A H 0.9278 0.7917 0.5268 0.106 Uiso 1 1 calc R . .
H15B H 1.0426 0.8726 0.5615 0.106 Uiso 1 1 calc R . .
C16 C 0.8461(13) 0.8560(11) 0.4421(7) 0.075(4) Uani 1 1 d . . .
C17 C 0.8104(13) 0.9253(11) 0.4252(7) 0.071(4) Uani 1 1 d . A .
H17 H 0.8597 0.9859 0.4389 0.086 Uiso 1 1 calc R . .
C18 C 0.6999(12) 0.9059(10) 0.3871(7) 0.067(3) Uani 1 1 d . . .
C19 C 0.6292(13) 0.8256(11) 0.3715(8) 0.078(4) Uani 1 1 d . A .
H19 H 0.5534 0.8143 0.3493 0.094 Uiso 1 1 calc R . .
C20 C 0.6686(13) 0.7539(10) 0.3889(9) 0.087(5) Uani 1 1 d . . .
C21 C 0.7782(11) 0.7754(11) 0.4268(7) 0.073(4) Uani 1 1 d . A .
H21 H 0.8026 0.7294 0.4415 0.088 Uiso 1 1 calc R . .
C22 C 0.6699(13) 0.9831(12) 0.3653(7) 0.073(4) Uani 1 1 d . A .
C23 C 0.6300(15) 0.5938(12) 0.3769(11) 0.096(5) Uani 1 1 d . . .
H23A H 0.6566 0.6057 0.4272 0.115 Uiso 1 1 calc R A .
H23B H 0.6938 0.5875 0.3531 0.115 Uiso 1 1 calc R . .
C24 C 0.5369(17) 0.5072(13) 0.3480(12) 0.112(7) Uani 1 1 d . A .
H24A H 0.4928 0.5085 0.3047 0.135 Uiso 1 1 calc R . .
H24B H 0.5700 0.4544 0.3351 0.135 Uiso 1 1 calc R . .
C25 C 0.389(2) 0.5611(13) 0.4048(11) 0.130(8) Uani 1 1 d . . .
H25A H 0.4384 0.6251 0.4261 0.156 Uiso 1 1 calc R . .
H25B H 0.3438 0.5559 0.3600 0.156 Uiso 1 1 calc R . .
C26 C 0.3154(17) 0.536(2) 0.4528(13) 0.153(11) Uani 1 1 d . . .
H26A H 0.2822 0.5865 0.4737 0.184 Uiso 1 1 calc R . .
H26B H 0.3577 0.5213 0.4906 0.184 Uiso 1 1 calc R . .
C27 C 0.1414(15) 0.4158(13) 0.4353(13) 0.114(7) Uani 1 1 d . . .
H27A H 0.1123 0.4672 0.4600 0.137 Uiso 1 1 calc R . .
H27B H 0.1744 0.3918 0.4706 0.137 Uiso 1 1 calc R . .
C28 C 0.0405(16) 0.3368(15) 0.3835(13) 0.127(8) Uani 1 1 d . . .
H28A H -0.0215 0.3231 0.4083 0.152 Uiso 1 1 calc R . .
H28B H 0.0122 0.3580 0.3452 0.152 Uiso 1 1 calc R . .
C29 C 0.0682(18) 0.2220(14) 0.2831(13) 0.132(9) Uani 1 1 d . A .
H29A H -0.0079 0.2179 0.2594 0.158 Uiso 1 1 calc R . .
H29B H 0.0770 0.1585 0.2707 0.158 Uiso 1 1 calc R . .
C30 C 0.1518(16) 0.2776(10) 0.2548(10) 0.090(5) Uani 1 1 d . . .
H30A H 0.2205 0.3121 0.2909 0.108 Uiso 1 1 calc R A .
H30B H 0.1729 0.2372 0.2145 0.108 Uiso 1 1 calc R . .
C31 C 0.4770(11) 1.1117(9) 0.2045(7) 0.067(3) Uani 1 1 d . . .
C32 C 0.5526(13) 1.1872(12) 0.1978(10) 0.097(6) Uani 1 1 d . A .
H32 H 0.6297 1.2009 0.2186 0.116 Uiso 1 1 calc R . .
C33 C 0.5202(15) 1.2435(14) 0.1620(10) 0.112(7) Uani 1 1 d . . .
H33 H 0.5759 1.2937 0.1585 0.134 Uiso 1 1 calc R A .
C34 C 0.4135(15) 1.2293(11) 0.1325(8) 0.084(4) Uani 1 1 d . A .
H34 H 0.3923 1.2715 0.1116 0.101 Uiso 1 1 calc R . .
C35 C 0.3310(12) 1.1493(9) 0.1329(7) 0.065(3) Uani 1 1 d . . .
C36 C 0.2156(13) 1.1324(9) 0.1055(7) 0.069(4) Uani 1 1 d . A .
H36 H 0.1939 1.1749 0.0851 0.082 Uiso 1 1 calc R . .
C37 C 0.1334(10) 1.0590(8) 0.1065(6) 0.056(3) Uani 1 1 d . . .
C38 C 0.0194(13) 1.0493(10) 0.0837(8) 0.072(4) Uani 1 1 d . A .
H38 H -0.0028 1.0959 0.0687 0.087 Uiso 1 1 calc R . .
C39 C -0.0583(12) 0.9747(11) 0.0832(8) 0.079(4) Uani 1 1 d . . .
H39 H -0.1356 0.9690 0.0679 0.095 Uiso 1 1 calc R A .
C40 C -0.0270(11) 0.9032(9) 0.1052(7) 0.066(3) Uani 1 1 d . A .
H40 H -0.0853 0.8522 0.1049 0.079 Uiso 1 1 calc R . .
C41 C 0.0807(10) 0.9039(7) 0.1264(6) 0.051(3) Uani 1 1 d . . .
C42 C 0.1678(9) 0.9895(7) 0.1316(6) 0.048(3) Uani 1 1 d . A .
C43 C 0.2799(10) 1.0082(8) 0.1630(6) 0.054(3) Uani 1 1 d . . .
H43 H 0.3010 0.9646 0.1823 0.065 Uiso 1 1 calc R A .
C44 C 0.3640(10) 1.0880(8) 0.1679(6) 0.055(3) Uani 1 1 d . A .
C45 C 0.1786(16) 0.8091(11) -0.0181(8) 0.086(5) Uani 1 1 d . . .
H45A H 0.1516 0.8653 -0.0086 0.104 Uiso 1 1 calc R . .
H45B H 0.2596 0.8285 0.0036 0.104 Uiso 1 1 calc R . .
C46 C 0.167(2) 0.7678(13) -0.0963(10) 0.120(7) Uani 1 1 d . . .
H46A H 0.2098 0.8137 -0.1141 0.180 Uiso 1 1 calc R . .
H46B H 0.0871 0.7501 -0.1188 0.180 Uiso 1 1 calc R . .
H46C H 0.1953 0.7132 -0.1065 0.180 Uiso 1 1 calc R . .
C47 C -0.0421(14) 0.7061(12) -0.0205(8) 0.087(5) Uani 1 1 d . . .
H47A H -0.0648 0.7642 -0.0122 0.105 Uiso 1 1 calc R . .
H47B H -0.0466 0.6797 -0.0712 0.105 Uiso 1 1 calc R . .
C48 C -0.1266(15) 0.6365(12) 0.0036(11) 0.114(7) Uani 1 1 d . . .
H48A H -0.2030 0.6251 -0.0221 0.171 Uiso 1 1 calc R . .
H48B H -0.1239 0.6627 0.0536 0.171 Uiso 1 1 calc R . .
H48C H -0.1059 0.5781 -0.0056 0.171 Uiso 1 1 calc R . .
C49 C 0.1351(16) 0.6228(11) -0.0055(8) 0.087(5) Uani 1 1 d . . .
H49A H 0.0965 0.5804 0.0174 0.104 Uiso 1 1 calc R . .
H49B H 0.1066 0.5948 -0.0564 0.104 Uiso 1 1 calc R . .
C50 C 0.2618(16) 0.6346(13) 0.0106(9) 0.101(5) Uani 1 1 d . . .
H50A H 0.2767 0.5742 -0.0059 0.152 Uiso 1 1 calc R . .
H50B H 0.2899 0.6617 0.0610 0.152 Uiso 1 1 calc R . .
H50C H 0.2999 0.6755 -0.0129 0.152 Uiso 1 1 calc R . .
C51 C 0.117(2) 0.9667(12) 0.2932(10) 0.124(8) Uani 1 1 d . A .
H51A H 0.1931 1.0019 0.2925 0.149 Uiso 1 1 calc R . .
H51B H 0.0633 0.9810 0.2607 0.149 Uiso 1 1 calc R . .
C52 C 0.0951(19) 1.0062(12) 0.3658(10) 0.123(8) Uani 1 1 d . . .
H52A H 0.1018 1.0724 0.3759 0.184 Uiso 1 1 calc R A .
H52B H 0.1503 0.9975 0.4000 0.184 Uiso 1 1 calc R . .
H52C H 0.0191 0.9743 0.3682 0.184 Uiso 1 1 calc R . .
C53 C 0.249(3) 0.871(3) 0.3189(19) 0.115(11) Uiso 0.61(2) 1 d P A 1
H53A H 0.3111 0.8996 0.2995 0.138 Uiso 0.61(2) 1 calc PR A 1
H53B H 0.2500 0.9157 0.3647 0.138 Uiso 0.61(2) 1 calc PR A 1
C53' C 0.119(5) 0.794(4) 0.316(3) 0.13(2) Uiso 0.39(2) 1 d P A 2
H53C H 0.0694 0.7296 0.2974 0.156 Uiso 0.39(2) 1 calc PR A 2
H53D H 0.1000 0.8262 0.3601 0.156 Uiso 0.39(2) 1 calc PR A 2
C54 C 0.264(3) 0.795(3) 0.328(2) 0.226(16) Uiso 1 1 d . . .
H54A H 0.3357 0.8086 0.3595 0.338 Uiso 0.61(2) 1 calc PR A 1
H54B H 0.2651 0.7513 0.2825 0.338 Uiso 0.61(2) 1 calc PR A 1
H54C H 0.2025 0.7665 0.3471 0.338 Uiso 0.61(2) 1 calc PR A 1
H54D H 0.2793 0.7618 0.3605 0.338 Uiso 0.39(2) 1 calc PR A 2
H54E H 0.3110 0.8585 0.3459 0.338 Uiso 0.39(2) 1 calc PR A 2
H54F H 0.2810 0.7637 0.2827 0.338 Uiso 0.39(2) 1 calc PR A 2
C55 C 0.005(2) 0.7818(19) 0.2845(14) 0.082(7) Uiso 0.61(2) 1 d P A 1
H55A H 0.0236 0.7233 0.2828 0.098 Uiso 0.61(2) 1 calc PR A 1
H55B H 0.0036 0.8142 0.3335 0.098 Uiso 0.61(2) 1 calc PR A 1
C55' C -0.071(4) 0.838(3) 0.255(3) 0.092(13) Uiso 0.39(2) 1 d P A 2
H55C H -0.0823 0.8713 0.3019 0.111 Uiso 0.39(2) 1 calc PR A 2
H55D H -0.0995 0.8662 0.2216 0.111 Uiso 0.39(2) 1 calc PR A 2
C56 C -0.121(2) 0.757(2) 0.2383(17) 0.180(13) Uani 1 1 d . . .
H56A H -0.1747 0.7188 0.2567 0.270 Uiso 0.61(2) 1 calc PR A 1
H56B H -0.1217 0.7233 0.1898 0.270 Uiso 0.61(2) 1 calc PR A 1
H56C H -0.1416 0.8145 0.2406 0.270 Uiso 0.61(2) 1 calc PR A 1
H56D H -0.2011 0.7508 0.2375 0.270 Uiso 0.39(2) 1 calc PR A 2
H56E H -0.0914 0.7299 0.2718 0.270 Uiso 0.39(2) 1 calc PR A 2
H56F H -0.1101 0.7252 0.1919 0.270 Uiso 0.39(2) 1 calc PR A 2
C57 C 0.3688(15) 1.1871(12) 0.3519(9) 0.096(5) Uani 1 1 d . B 2
H57A H 0.3608 1.2078 0.3105 0.115 Uiso 1 1 calc R B 2
H57B H 0.3068 1.1305 0.3426 0.115 Uiso 1 1 calc R B 2
C58 C 0.3537(19) 1.2626(14) 0.4146(10) 0.127(8) Uani 1 1 d . B 2
H58A H 0.2799 1.2735 0.4043 0.191 Uiso 1 1 calc R B 2
H58B H 0.4129 1.3199 0.4235 0.191 Uiso 1 1 calc R B 2
H58C H 0.3587 1.2424 0.4558 0.191 Uiso 1 1 calc R B 2
C59 C 0.5961(15) 1.2715(13) 0.3738(11) 0.108(6) Uani 1 1 d . B 2
H59A H 0.5727 1.2930 0.3346 0.129 Uiso 1 1 calc R B 2
H59B H 0.5877 1.3156 0.4171 0.129 Uiso 1 1 calc R B 2
C60 C 0.7201(14) 1.2726(13) 0.3786(11) 0.108(6) Uani 1 1 d . B 2
H60A H 0.7655 1.3351 0.3847 0.161 Uiso 1 1 calc R B 2
H60B H 0.7293 1.2294 0.3358 0.161 Uiso 1 1 calc R B 2
H60C H 0.7449 1.2539 0.4185 0.161 Uiso 1 1 calc R B 2
C61 C 0.5227(19) 1.1450(15) 0.4440(10) 0.113(6) Uani 1 1 d . B 2
H61A H 0.5990 1.1373 0.4546 0.135 Uiso 1 1 calc R B 2
H61B H 0.5203 1.2031 0.4784 0.135 Uiso 1 1 calc R B 2
C62 C 0.441(2) 1.0677(17) 0.4532(14) 0.145(9) Uani 1 1 d . B 2
H62A H 0.4594 1.0668 0.5009 0.218 Uiso 1 1 calc R B 2
H62B H 0.4440 1.0094 0.4204 0.218 Uiso 1 1 calc R B 2
H62C H 0.3652 1.0755 0.4444 0.218 Uiso 1 1 calc R B 2
C63 C 0.718(2) 0.9436(19) 0.2011(15) 0.085(8) Uiso 0.61(2) 1 d P A 1
H63A H 0.7228 0.9187 0.2405 0.103 Uiso 0.61(2) 1 calc PR A 1
H63B H 0.7390 0.9016 0.1617 0.103 Uiso 0.61(2) 1 calc PR A 1
C63' C 0.706(6) 0.988(5) 0.154(4) 0.16(3) Uiso 0.39(2) 1 d P A 2
H63C H 0.7286 0.9359 0.1236 0.190 Uiso 0.39(2) 1 calc PR A 2
H63D H 0.6995 1.0317 0.1282 0.190 Uiso 0.39(2) 1 calc PR A 2
C64 C 0.8003(15) 1.0384(13) 0.2226(13) 0.129(9) Uani 1 1 d . . .
H64A H 0.8769 1.0333 0.2341 0.193 Uiso 0.61(2) 1 calc PR A 1
H64B H 0.7826 1.0793 0.2635 0.193 Uiso 0.61(2) 1 calc PR A 1
H64C H 0.7948 1.0639 0.1842 0.193 Uiso 0.61(2) 1 calc PR A 1
H64D H 0.8728 1.0594 0.2101 0.193 Uiso 0.39(2) 1 calc PR A 2
H64E H 0.8058 0.9953 0.2486 0.193 Uiso 0.39(2) 1 calc PR A 2
H64F H 0.7802 1.0917 0.2515 0.193 Uiso 0.39(2) 1 calc PR A 2
C65 C 0.492(4) 0.836(3) 0.148(2) 0.141(14) Uiso 0.61(2) 1 d P A 1
H65A H 0.4136 0.8397 0.1368 0.169 Uiso 0.61(2) 1 calc PR A 1
H65B H 0.5105 0.8052 0.1030 0.169 Uiso 0.61(2) 1 calc PR A 1
C65' C 0.604(5) 0.829(4) 0.182(3) 0.117(17) Uiso 0.39(2) 1 d P A 2
H65C H 0.6302 0.7967 0.1404 0.141 Uiso 0.39(2) 1 calc PR A 2
H65D H 0.6594 0.8398 0.2243 0.141 Uiso 0.39(2) 1 calc PR A 2
C66 C 0.488(4) 0.775(3) 0.185(2) 0.238(17) Uiso 1 1 d . . .
H66A H 0.4334 0.7159 0.1577 0.357 Uiso 0.61(2) 1 calc PR A 1
H66B H 0.4645 0.8004 0.2289 0.357 Uiso 0.61(2) 1 calc PR A 1
H66C H 0.5623 0.7654 0.1947 0.357 Uiso 0.61(2) 1 calc PR A 1
H66D H 0.4815 0.7087 0.1687 0.357 Uiso 0.39(2) 1 calc PR A 2
H66E H 0.4303 0.7884 0.1551 0.357 Uiso 0.39(2) 1 calc PR A 2
H66F H 0.4763 0.7933 0.2330 0.357 Uiso 0.39(2) 1 calc PR A 2
C67 C 0.573(4) 0.982(3) 0.101(2) 0.144(15) Uiso 0.61(2) 1 d P A 1
H67A H 0.5125 1.0130 0.0969 0.172 Uiso 0.61(2) 1 calc PR A 1
H67B H 0.6458 1.0268 0.1056 0.172 Uiso 0.61(2) 1 calc PR A 1
C67' C 0.463(4) 0.892(4) 0.090(2) 0.106(15) Uiso 0.39(2) 1 d P A 2
H67C H 0.4183 0.8285 0.0843 0.127 Uiso 0.39(2) 1 calc PR A 2
H67D H 0.4111 0.9310 0.0863 0.127 Uiso 0.39(2) 1 calc PR A 2
C68 C 0.552(6) 0.893(5) 0.032(4) 0.42(4) Uiso 1 1 d . . .
H68A H 0.5525 0.9133 -0.0092 0.634 Uiso 0.61(2) 1 calc PR A 1
H68B H 0.4794 0.8495 0.0272 0.634 Uiso 0.61(2) 1 calc PR A 1
H68C H 0.6123 0.8627 0.0362 0.634 Uiso 0.61(2) 1 calc PR A 1
H68D H 0.5082 0.8682 -0.0157 0.634 Uiso 0.39(2) 1 calc PR A 2
H68E H 0.6028 0.8550 0.0380 0.634 Uiso 0.39(2) 1 calc PR A 2
H68F H 0.5967 0.9567 0.0406 0.634 Uiso 0.39(2) 1 calc PR A 2
C69 C 0.5000 0.5000 0.0000 0.31(4) Uiso 1 2 d SD . .
C70 C 0.587(3) 0.5835(15) 0.0405(16) 0.100(10) Uiso 0.50 1 d PD C 1
H70A H 0.6602 0.5683 0.0445 0.120 Uiso 0.50 1 calc PR C 1
H70B H 0.5719 0.6043 0.0881 0.120 Uiso 0.50 1 calc PR C 1
C70' C 0.541(3) 0.5681(16) -0.0361(14) 0.099(10) Uiso 0.50 1 d PD C 2
C71 C 0.598(3) 0.6610(13) 0.0120(17) 0.211 Uiso 1 1 d D C 1
H71A H 0.6576 0.7145 0.0431 0.317 Uiso 1 1 calc R C 1
H71B H 0.5265 0.6775 0.0083 0.317 Uiso 1 1 calc R C 1
H71C H 0.6167 0.6425 -0.0342 0.317 Uiso 1 1 calc R C 1
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'
O O 0.0106 0.0060 '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'
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
C41 Pt1 O1 176.2(4) . .
C41 Pt1 P2 90.6(3) . .
O1 Pt1 P2 90.9(3) . .
C41 Pt1 P1 87.9(3) . .
O1 Pt1 P1 91.1(3) . .
P2 Pt1 P1 171.52(17) . .
C31 Pt2 O13 175.7(5) . .
C31 Pt2 P4 90.2(4) . .
O13 Pt2 P4 86.8(3) . .
C31 Pt2 P3 88.7(4) . .
O13 Pt2 P3 94.7(3) . .
P4 Pt2 P3 172.23(14) . .
C49 P1 C47 102.7(8) . .
C49 P1 C45 107.7(8) . .
C47 P1 C45 102.0(8) . .
C49 P1 Pt1 116.2(5) . .
C47 P1 Pt1 111.0(5) . .
C45 P1 Pt1 115.6(5) . .
C53' P2 C55 50(2) . .
C53' P2 C51 115(2) . .
C55 P2 C51 111.1(11) . .
C53' P2 C53 59(2) . .
C55 P2 C53 108.1(14) . .
C51 P2 C53 88.5(14) . .
C53' P2 C55' 94(3) . .
C55 P2 C55' 46.2(16) . .
C51 P2 C55' 81.0(15) . .
C53 P2 C55' 143.1(17) . .
C53' P2 Pt1 126(2) . .
C55 P2 Pt1 115.6(9) . .
C51 P2 Pt1 118.0(6) . .
C53 P2 Pt1 111.9(11) . .
C55' P2 Pt1 104.2(13) . .
C61 P3 C57 104.6(9) . .
C61 P3 C59 103.2(10) . .
C57 P3 C59 97.5(8) . .
C61 P3 Pt2 119.4(7) . .
C57 P3 Pt2 116.7(6) . .
C59 P3 Pt2 112.5(7) . .
C65 P4 C67 106(2) . .
C65 P4 C63' 128(3) . .
C67 P4 C63' 62(3) . .
C65 P4 C63 108.5(18) . .
C67 P4 C63 104.7(17) . .
C63' P4 C63 44(3) . .
C65 P4 C67' 56(2) . .
C67 P4 C67' 54(2) . .
C63' P4 C67' 108(3) . .
C63 P4 C67' 134.9(17) . .
C65 P4 C65' 48(2) . .
C67 P4 C65' 126(2) . .
C63' P4 C65' 95(3) . .
C63 P4 C65' 61.1(18) . .
C67' P4 C65' 98(2) . .
C65 P4 Pt2 114.9(15) . .
C67 P4 Pt2 113.3(14) . .
C63' P4 Pt2 116(2) . .
C63 P4 Pt2 108.5(9) . .
C67' P4 Pt2 116.4(15) . .
C65' P4 Pt2 120.8(16) . .
C1 O1 Pt1 124.3(8) . .
C4 O3 C8 116.6(15) . .
C10 O4 C9 106.8(18) . .
C12 O5 C11 127(3) . .
C13 O6 C14 116.4(15) . .
C15 O7 C16 118.3(12) . .
C20 O8 C23 116.9(13) . .
C24 O9 C25 110.9(15) . .
C27 O10 C26 114.3(16) . .
C29 O11 C28 118.4(17) . .
C6 O12 C30 114.8(13) . .
C22 O13 Pt2 122.9(9) . .
O2 C1 O1 126.2(12) . .
O2 C1 C2 119.5(11) . .
O1 C1 C2 114.3(11) . .
C7 C2 C3 120.1(11) . .
C7 C2 C1 119.4(11) . .
C3 C2 C1 120.5(11) . .
C2 C3 C4 119.3(13) . .
C2 C3 H3 120.3 . .
C4 C3 H3 120.3 . .
C5 C4 O3 111.9(14) . .
C5 C4 C3 121.5(14) . .
O3 C4 C3 126.1(14) . .
C4 C5 C6 119.8(14) . .
C4 C5 H5 120.1 . .
C6 C5 H5 120.1 . .
C5 C6 O12 127.3(14) . .
C5 C6 C7 121.7(13) . .
O12 C6 C7 110.9(13) . .
C2 C7 C6 117.2(12) . .
C2 C7 H7 121.4 . .
C6 C7 H7 121.4 . .
O3 C8 C9 106.2(18) . .
O3 C8 H8A 110.5 . .
C9 C8 H8A 110.5 . .
O3 C8 H8B 110.5 . .
C9 C8 H8B 110.5 . .
H8A C8 H8B 108.7 . .
O4 C9 C8 106(2) . .
O4 C9 H9A 110.6 . .
C8 C9 H9A 110.6 . .
O4 C9 H9B 110.6 . .
C8 C9 H9B 110.6 . .
H9A C9 H9B 108.7 . .
O4 C10 C11 107(2) . .
O4 C10 H10A 110.4 . .
C11 C10 H10A 110.4 . .
O4 C10 H10B 110.4 . .
C11 C10 H10B 110.4 . .
H10A C10 H10B 108.6 . .
O5 C11 C10 112(3) . .
O5 C11 H11A 109.1 . .
C10 C11 H11A 109.1 . .
O5 C11 H11B 109.1 . .
C10 C11 H11B 109.1 . .
H11A C11 H11B 107.9 . .
O5 C12 C13 126(3) . .
O5 C12 H12A 105.9 . .
C13 C12 H12A 105.9 . .
O5 C12 H12B 105.9 . .
C13 C12 H12B 105.9 . .
H12A C12 H12B 106.2 . .
C12 C13 O6 114(2) . .
C12 C13 H13A 108.8 . .
O6 C13 H13A 108.8 . .
C12 C13 H13B 108.8 . .
O6 C13 H13B 108.8 . .
H13A C13 H13B 107.7 . .
C15 C14 O6 110.8(13) . .
C15 C14 H14A 109.5 . .
O6 C14 H14A 109.5 . .
C15 C14 H14B 109.5 . .
O6 C14 H14B 109.5 . .
H14A C14 H14B 108.1 . .
O7 C15 C14 107.9(14) . .
O7 C15 H15A 110.1 . .
C14 C15 H15A 110.1 . .
O7 C15 H15B 110.1 . .
C14 C15 H15B 110.1 . .
H15A C15 H15B 108.4 . .
C21 C16 C17 120.4(14) . .
C21 C16 O7 123.2(14) . .
C17 C16 O7 116.3(14) . .
C16 C17 C18 119.7(15) . .
C16 C17 H17 120.1 . .
C18 C17 H17 120.1 . .
C19 C18 C17 121.2(14) . .
C19 C18 C22 122.1(14) . .
C17 C18 C22 116.7(13) . .
C18 C19 C20 118.0(14) . .
C18 C19 H19 121.0 . .
C20 C19 H19 121.0 . .
O8 C20 C21 125.8(14) . .
O8 C20 C19 115.0(14) . .
C21 C20 C19 119.2(14) . .
C16 C21 C20 121.2(14) . .
C16 C21 H21 119.4 . .
C20 C21 H21 119.4 . .
O14 C22 O13 124.6(13) . .
O14 C22 C18 119.4(13) . .
O13 C22 C18 116.0(14) . .
O8 C23 C24 109.5(15) . .
O8 C23 H23A 109.8 . .
C24 C23 H23A 109.8 . .
O8 C23 H23B 109.8 . .
C24 C23 H23B 109.8 . .
H23A C23 H23B 108.2 . .
O9 C24 C23 115.4(18) . .
O9 C24 H24A 108.4 . .
C23 C24 H24A 108.4 . .
O9 C24 H24B 108.4 . .
C23 C24 H24B 108.4 . .
H24A C24 H24B 107.5 . .
C26 C25 O9 104.9(19) . .
C26 C25 H25A 110.8 . .
O9 C25 H25A 110.8 . .
C26 C25 H25B 110.8 . .
O9 C25 H25B 110.8 . .
H25A C25 H25B 108.8 . .
C25 C26 O10 103.2(17) . .
C25 C26 H26A 111.1 . .
O10 C26 H26A 111.1 . .
C25 C26 H26B 111.1 . .
O10 C26 H26B 111.1 . .
H26A C26 H26B 109.1 . .
O10 C27 C28 113.6(19) . .
O10 C27 H27A 108.8 . .
C28 C27 H27A 108.8 . .
O10 C27 H27B 108.8 . .
C28 C27 H27B 108.8 . .
H27A C27 H27B 107.7 . .
O11 C28 C27 111.4(16) . .
O11 C28 H28A 109.3 . .
C27 C28 H28A 109.3 . .
O11 C28 H28B 109.3 . .
C27 C28 H28B 109.3 . .
H28A C28 H28B 108.0 . .
O11 C29 C30 116.7(16) . .
O11 C29 H29A 108.1 . .
C30 C29 H29A 108.1 . .
O11 C29 H29B 108.1 . .
C30 C29 H29B 108.1 . .
H29A C29 H29B 107.3 . .
O12 C30 C29 105.8(16) . .
O12 C30 H30A 110.6 . .
C29 C30 H30A 110.6 . .
O12 C30 H30B 110.6 . .
C29 C30 H30B 110.6 . .
H30A C30 H30B 108.7 . .
C32 C31 C44 117.4(12) . .
C32 C31 Pt2 120.4(11) . .
C44 C31 Pt2 122.1(9) . .
C31 C32 C33 122.7(15) . .
C31 C32 H32 118.6 . .
C33 C32 H32 118.6 . .
C34 C33 C32 122.0(15) . .
C34 C33 H33 119.0 . .
C32 C33 H33 119.0 . .
C33 C34 C35 118.9(14) . .
C33 C34 H34 120.5 . .
C35 C34 H34 120.5 . .
C36 C35 C34 121.8(12) . .
C36 C35 C44 118.2(11) . .
C34 C35 C44 119.7(13) . .
C37 C36 C35 124.2(11) . .
C37 C36 H36 117.9 . .
C35 C36 H36 117.9 . .
C36 C37 C38 122.0(12) . .
C36 C37 C42 117.7(11) . .
C38 C37 C42 120.2(12) . .
C39 C38 C37 120.2(12) . .
C39 C38 H38 119.9 . .
C37 C38 H38 119.9 . .
C38 C39 C40 121.1(13) . .
C38 C39 H39 119.5 . .
C40 C39 H39 119.5 . .
C41 C40 C39 124.0(13) . .
C41 C40 H40 118.0 . .
C39 C40 H40 118.0 . .
C40 C41 C42 115.5(10) . .
C40 C41 Pt1 122.1(9) . .
C42 C41 Pt1 122.4(8) . .
C43 C42 C37 118.2(11) . .
C43 C42 C41 122.9(10) . .
C37 C42 C41 118.8(10) . .
C42 C43 C44 124.0(10) . .
C42 C43 H43 118.0 . .
C44 C43 H43 118.0 . .
C43 C44 C31 124.7(11) . .
C43 C44 C35 116.6(11) . .
C31 C44 C35 118.7(11) . .
C46 C45 P1 115.5(13) . .
C46 C45 H45A 108.4 . .
P1 C45 H45A 108.4 . .
C46 C45 H45B 108.4 . .
P1 C45 H45B 108.4 . .
H45A C45 H45B 107.5 . .
C45 C46 H46A 109.5 . .
C45 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
C45 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
C48 C47 P1 113.0(12) . .
C48 C47 H47A 109.0 . .
P1 C47 H47A 109.0 . .
C48 C47 H47B 109.0 . .
P1 C47 H47B 109.0 . .
H47A C47 H47B 107.8 . .
C47 C48 H48A 109.5 . .
C47 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C47 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
C50 C49 P1 111.2(12) . .
C50 C49 H49A 109.4 . .
P1 C49 H49A 109.4 . .
C50 C49 H49B 109.4 . .
P1 C49 H49B 109.4 . .
H49A C49 H49B 108.0 . .
C49 C50 H50A 109.5 . .
C49 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
C49 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
C52 C51 P2 121.4(14) . .
C52 C51 H51A 107.0 . .
P2 C51 H51A 107.0 . .
C52 C51 H51B 107.0 . .
P2 C51 H51B 107.0 . .
H51A C51 H51B 106.7 . .
C51 C52 H52A 109.5 . .
C51 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C51 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
C54 C53 P2 112(3) . .
C54 C53 H53A 109.2 . .
P2 C53 H53A 109.2 . .
C54 C53 H53B 109.2 . .
P2 C53 H53B 109.2 . .
H53A C53 H53B 107.9 . .
P2 C53' C54 103(3) . .
P2 C53' H53C 111.3 . .
C54 C53' H53C 111.3 . .
P2 C53' H53D 111.3 . .
C54 C53' H53D 111.3 . .
H53C C53' H53D 109.2 . .
C53 C54 C53' 68(3) . .
C53 C54 H54A 109.5 . .
C53' C54 H54A 148.4 . .
C53 C54 H54B 109.5 . .
C53' C54 H54B 100.6 . .
H54A C54 H54B 109.5 . .
C53 C54 H54C 109.5 . .
C53' C54 H54C 49.0 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
C53 C54 H54D 147.0 . .
C53' C54 H54D 109.5 . .
H54A C54 H54D 54.7 . .
H54B C54 H54D 103.4 . .
H54C C54 H54D 60.5 . .
C53 C54 H54E 48.2 . .
C53' C54 H54E 109.5 . .
H54A C54 H54E 61.3 . .
H54B C54 H54E 123.6 . .
H54C C54 H54E 126.4 . .
H54D C54 H54E 109.5 . .
C53 C54 H54F 101.9 . .
C53' C54 H54F 109.5 . .
H54A C54 H54F 101.9 . .
H54B C54 H54F 14.3 . .
H54C C54 H54F 123.8 . .
H54D C54 H54F 109.5 . .
H54E C54 H54F 109.5 . .
C56 C55 P2 114.6(19) . .
C56 C55 H55A 108.6 . .
P2 C55 H55A 108.6 . .
C56 C55 H55B 108.6 . .
P2 C55 H55B 108.6 . .
H55A C55 H55B 107.6 . .
C56 C55' P2 108(3) . .
C56 C55' H55C 110.0 . .
P2 C55' H55C 110.0 . .
C56 C55' H55D 110.0 . .
P2 C55' H55D 110.0 . .
H55C C55' H55D 108.4 . .
C55' C56 C55 67(3) . .
C55' C56 H56A 135.8 . .
C55 C56 H56A 109.5 . .
C55' C56 H56B 113.0 . .
C55 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
C55' C56 H56C 44.4 . .
C55 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
C55' C56 H56D 109.5 . .
C55 C56 H56D 147.8 . .
H56A C56 H56D 49.3 . .
H56B C56 H56D 101.4 . .
H56C C56 H56D 67.0 . .
C55' C56 H56E 109.5 . .
C55 C56 H56E 49.4 . .
H56A C56 H56E 61.7 . .
H56B C56 H56E 113.7 . .
H56C C56 H56E 136.4 . .
H56D C56 H56E 109.5 . .
C55' C56 H56F 109.5 . .
C55 C56 H56F 101.4 . .
H56A C56 H56F 114.2 . .
H56B C56 H56F 8.1 . .
H56C C56 H56F 112.5 . .
H56D C56 H56F 109.5 . .
H56E C56 H56F 109.5 . .
C58 C57 P3 116.3(13) . .
C58 C57 H57A 108.2 . .
P3 C57 H57A 108.2 . .
C58 C57 H57B 108.2 . .
P3 C57 H57B 108.2 . .
H57A C57 H57B 107.4 . .
C57 C58 H58A 109.5 . .
C57 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
C57 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
C60 C59 P3 113.4(13) . .
C60 C59 H59A 108.9 . .
P3 C59 H59A 108.9 . .
C60 C59 H59B 108.9 . .
P3 C59 H59B 108.9 . .
H59A C59 H59B 107.7 . .
C59 C60 H60A 109.5 . .
C59 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
C59 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
C62 C61 P3 115.4(17) . .
C62 C61 H61A 108.4 . .
P3 C61 H61A 108.4 . .
C62 C61 H61B 108.4 . .
P3 C61 H61B 108.4 . .
H61A C61 H61B 107.5 . .
C61 C62 H62A 109.5 . .
C61 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
C61 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
C64 C63 P4 113.0(18) . .
C64 C63 H63A 109.0 . .
P4 C63 H63A 109.0 . .
C64 C63 H63B 109.0 . .
P4 C63 H63B 109.0 . .
H63A C63 H63B 107.8 . .
C64 C63' P4 110(4) . .
C64 C63' H63C 109.6 . .
P4 C63' H63C 109.6 . .
C64 C63' H63D 109.6 . .
P4 C63' H63D 109.6 . .
H63C C63' H63D 108.1 . .
C63 C64 C63' 52(3) . .
C63 C64 H64A 109.5 . .
C63' C64 H64A 130.7 . .
C63 C64 H64B 109.5 . .
C63' C64 H64B 119.7 . .
H64A C64 H64B 109.5 . .
C63 C64 H64C 109.5 . .
C63' C64 H64C 58.3 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
C63 C64 H64D 131.3 . .
C63' C64 H64D 109.5 . .
H64A C64 H64D 43.5 . .
H64B C64 H64D 117.6 . .
H64C C64 H64D 66.6 . .
C63 C64 H64E 58.4 . .
C63' C64 H64E 109.5 . .
H64A C64 H64E 66.5 . .
H64B C64 H64E 88.6 . .
H64C C64 H64E 161.4 . .
H64D C64 H64E 109.5 . .
C63 C64 H64F 119.1 . .
C63' C64 H64F 109.5 . .
H64A C64 H64F 118.2 . .
H64B C64 H64F 20.9 . .
H64C C64 H64F 88.6 . .
H64D C64 H64F 109.5 . .
H64E C64 H64F 109.5 . .
C66 C65 P4 125(4) . .
C66 C65 H65A 106.0 . .
P4 C65 H65A 106.0 . .
C66 C65 H65B 106.0 . .
P4 C65 H65B 106.0 . .
H65A C65 H65B 106.3 . .
C66 C65' P4 101(3) . .
C66 C65' H65C 111.6 . .
P4 C65' H65C 111.6 . .
C66 C65' H65D 111.6 . .
P4 C65' H65D 111.6 . .
H65C C65' H65D 109.4 . .
C65 C66 C65' 63(3) . .
C65 C66 H66A 109.5 . .
C65' C66 H66A 136.8 . .
C65 C66 H66B 109.5 . .
C65' C66 H66B 113.0 . .
H66A C66 H66B 109.5 . .
C65 C66 H66C 109.5 . .
C65' C66 H66C 48.0 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
C65 C66 H66D 129.5 . .
C65' C66 H66D 109.5 . .
H66A C66 H66D 39.3 . .
H66B C66 H66D 118.0 . .
H66C C66 H66D 70.6 . .
C65 C66 H66E 46.5 . .
C65' C66 H66E 109.5 . .
H66A C66 H66E 72.7 . .
H66B C66 H66E 96.6 . .
H66C C66 H66E 150.6 . .
H66D C66 H66E 109.5 . .
C65 C66 H66F 120.1 . .
C65' C66 H66F 109.5 . .
H66A C66 H66F 110.0 . .
H66B C66 H66F 13.2 . .
H66C C66 H66F 97.5 . .
H66D C66 H66F 109.5 . .
H66E C66 H66F 109.5 . .
C68 C67 P4 109(3) . .
C68 C67 H67A 109.9 . .
P4 C67 H67A 109.9 . .
C68 C67 H67B 109.9 . .
P4 C67 H67B 109.9 . .
H67A C67 H67B 108.3 . .
C68 C67' P4 99(3) . .
C68 C67' H67C 112.1 . .
P4 C67' H67C 112.1 . .
C68 C67' H67D 112.1 . .
P4 C67' H67D 112.1 . .
H67C C67' H67D 109.7 . .
C67 C68 C67' 60(3) . .
C67 C68 H68A 109.5 . .
C67' C68 H68A 133.0 . .
C67 C68 H68B 109.5 . .
C67' C68 H68B 50.3 . .
H68A C68 H68B 109.5 . .
C67 C68 H68C 109.5 . .
C67' C68 H68C 117.2 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
C67 C68 H68D 138.9 . .
C67' C68 H68D 109.5 . .
H68A C68 H68D 45.6 . .
H68B C68 H68D 66.6 . .
H68C C68 H68D 110.1 . .
C67 C68 H68E 111.4 . .
C67' C68 H68E 109.5 . .
H68A C68 H68E 116.3 . .
H68B C68 H68E 100.2 . .
H68C C68 H68E 9.6 . .
H68D C68 H68E 109.5 . .
C67 C68 H68F 51.9 . .
C67' C68 H68F 109.5 . .
H68A C68 H68F 64.8 . .
H68B C68 H68F 149.1 . .
H68C C68 H68F 100.7 . .
H68D C68 H68F 109.5 . .
H68E C68 H68F 109.5 . .
C70 C69 C70 179.996(4) . 2_665
C70 C69 C70' 62.6(15) . .
C70 C69 C70' 117.4(15) 2_665 .
C70 C69 C70' 117.4(15) . 2_665
C70 C69 C70' 62.6(15) 2_665 2_665
C70' C69 C70' 179.996(4) . 2_665
C69 C70 C71 115.2(18) . .
C69 C70 H70A 108.5 . .
C71 C70 H70A 108.5 . .
C69 C70 H70B 108.5 . .
C71 C70 H70B 108.5 . .
H70A C70 H70B 107.5 . .
C70 C71 H71A 109.5 . .
C70 C71 H71B 109.5 . .
H71A C71 H71B 109.5 . .
C70 C71 H71C 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C41 1.990(11) .
Pt1 O1 2.103(8) .
Pt1 P2 2.289(4) .
Pt1 P1 2.311(3) .
Pt2 C31 2.009(13) .
Pt2 O13 2.106(9) .
Pt2 P4 2.297(4) .
Pt2 P3 2.315(4) .
P1 C49 1.802(15) .
P1 C47 1.822(16) .
P1 C45 1.838(16) .
P2 C53' 1.67(6) .
P2 C55 1.73(3) .
P2 C51 1.747(17) .
P2 C53 1.91(4) .
P2 C55' 2.20(5) .
P3 C61 1.75(2) .
P3 C57 1.829(15) .
P3 C59 1.844(19) .
P4 C65 1.67(4) .
P4 C67 1.78(4) .
P4 C63' 1.80(7) .
P4 C63 1.81(3) .
P4 C67' 1.93(5) .
P4 C65' 1.98(5) .
O1 C1 1.262(14) .
O2 C1 1.226(15) .
O3 C4 1.389(19) .
O3 C8 1.42(2) .
O4 C10 1.42(3) .
O4 C9 1.53(3) .
O5 C12 1.31(3) .
O5 C11 1.32(3) .
O6 C13 1.41(2) .
O6 C14 1.44(2) .
O7 C15 1.408(18) .
O7 C16 1.443(17) .
O8 C20 1.372(18) .
O8 C23 1.423(19) .
O9 C24 1.45(2) .
O9 C25 1.55(3) .
O10 C27 1.348(19) .
O10 C26 1.56(3) .
O11 C29 1.40(3) .
O11 C28 1.44(3) .
O12 C6 1.379(16) .
O12 C30 1.448(18) .
O13 C22 1.300(17) .
O14 C22 1.232(18) .
C1 C2 1.530(16) .
C2 C7 1.369(17) .
C2 C3 1.383(18) .
C3 C4 1.40(2) .
C3 H3 0.9500 .
C4 C5 1.33(2) .
C5 C6 1.33(2) .
C5 H5 0.9500 .
C6 C7 1.447(18) .
C7 H7 0.9500 .
C8 C9 1.56(3) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C11 1.50(3) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 C13 1.33(3) .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 C15 1.43(2) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 C21 1.28(2) .
C16 C17 1.38(2) .
C17 C18 1.417(19) .
C17 H17 0.9500 .
C18 C19 1.29(2) .
C18 C22 1.507(19) .
C19 C20 1.44(2) .
C19 H19 0.9500 .
C20 C21 1.40(2) .
C21 H21 0.9500 .
C23 C24 1.49(2) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 C26 1.50(3) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C27 C28 1.57(3) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 C30 1.48(3) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 C32 1.388(18) .
C31 C44 1.424(18) .
C32 C33 1.39(2) .
C32 H32 0.9500 .
C33 C34 1.33(2) .
C33 H33 0.9500 .
C34 C35 1.436(19) .
C34 H34 0.9500 .
C35 C36 1.412(19) .
C35 C44 1.449(16) .
C36 C37 1.364(18) .
C36 H36 0.9500 .
C37 C38 1.397(18) .
C37 C42 1.454(15) .
C38 C39 1.34(2) .
C38 H38 0.9500 .
C39 C40 1.433(19) .
C39 H39 0.9500 .
C40 C41 1.354(17) .
C40 H40 0.9500 .
C41 C42 1.492(16) .
C42 C43 1.390(16) .
C43 C44 1.409(16) .
C43 H43 0.9500 .
C45 C46 1.52(2) .
C45 H45A 0.9900 .
C45 H45B 0.9900 .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 H46C 0.9800 .
C47 C48 1.57(2) .
C47 H47A 0.9900 .
C47 H47B 0.9900 .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C49 C50 1.53(2) .
C49 H49A 0.9900 .
C49 H49B 0.9900 .
C50 H50A 0.9800 .
C50 H50B 0.9800 .
C50 H50C 0.9800 .
C51 C52 1.52(2) .
C51 H51A 0.9900 .
C51 H51B 0.9900 .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 H52C 0.9800 .
C53 C54 1.32(4) .
C53 H53A 0.9900 .
C53 H53B 0.9900 .
C53' C54 1.79(7) .
C53' H53C 0.9900 .
C53' H53D 0.9900 .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
C54 H54D 0.9800 .
C54 H54E 0.9800 .
C54 H54F 0.9800 .
C55 C56 1.62(4) .
C55 H55A 0.9900 .
C55 H55B 0.9900 .
C55' C56 1.21(5) .
C55' H55C 0.9900 .
C55' H55D 0.9900 .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C56 H56D 0.9800 .
C56 H56E 0.9800 .
C56 H56F 0.9800 .
C57 C58 1.54(2) .
C57 H57A 0.9900 .
C57 H57B 0.9900 .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
C58 H58C 0.9800 .
C59 C60 1.53(2) .
C59 H59A 0.9900 .
C59 H59B 0.9900 .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C61 C62 1.47(3) .
C61 H61A 0.9900 .
C61 H61B 0.9900 .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 H62C 0.9800 .
C63 C64 1.51(3) .
C63 H63A 0.9900 .
C63 H63B 0.9900 .
C63' C64 1.58(7) .
C63' H63C 0.9900 .
C63' H63D 0.9900 .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 H64C 0.9800 .
C64 H64D 0.9800 .
C64 H64E 0.9800 .
C64 H64F 0.9800 .
C65 C66 1.37(5) .
C65 H65A 0.9900 .
C65 H65B 0.9900 .
C65' C66 1.52(6) .
C65' H65C 0.9900 .
C65' H65D 0.9900 .
C66 H66A 0.9800 .
C66 H66B 0.9800 .
C66 H66C 0.9800 .
C66 H66D 0.9800 .
C66 H66E 0.9800 .
C66 H66F 0.9800 .
C67 C68 1.62(7) .
C67 H67A 0.9900 .
C67 H67B 0.9900 .
C67' C68 1.73(7) .
C67' H67C 0.9900 .
C67' H67D 0.9900 .
C68 H68A 0.9800 .
C68 H68B 0.9800 .
C68 H68C 0.9800 .
C68 H68D 0.9800 .
C68 H68E 0.9800 .
C68 H68F 0.9800 .
C69 C70 1.451(18) .
C69 C70 1.451(18) 2_665
C69 C70' 1.497(18) .
C69 C70' 1.497(18) 2_665
C70 C71 1.477(18) .
C70 H70A 0.9900 .
C70 H70B 0.9900 .
C71 H71A 0.9800 .
C71 H71B 0.9800 .
C71 H71C 0.9800 .
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
C41 Pt1 P1 C49 177.2(8) .
O1 Pt1 P1 C49 0.8(7) .
P2 Pt1 P1 C49 -103.3(11) .
C41 Pt1 P1 C47 -65.9(7) .
O1 Pt1 P1 C47 117.7(7) .
P2 Pt1 P1 C47 13.5(12) .
C41 Pt1 P1 C45 49.5(7) .
O1 Pt1 P1 C45 -126.8(7) .
P2 Pt1 P1 C45 129.0(10) .
C41 Pt1 P2 C53' 174(3) .
O1 Pt1 P2 C53' -10(3) .
P1 Pt1 P2 C53' 95(3) .
C41 Pt1 P2 C55 116.1(11) .
O1 Pt1 P2 C55 -67.4(11) .
P1 Pt1 P2 C55 36.8(15) .
C41 Pt1 P2 C51 -19.0(11) .
O1 Pt1 P2 C51 157.5(10) .
P1 Pt1 P2 C51 -98.3(13) .
C41 Pt1 P2 C53 -119.6(13) .
O1 Pt1 P2 C53 57.0(12) .
P1 Pt1 P2 C53 161.2(14) .
C41 Pt1 P2 C55' 68.2(14) .
O1 Pt1 P2 C55' -115.2(14) .
P1 Pt1 P2 C55' -11.1(17) .
C31 Pt2 P3 C61 176.6(10) .
O13 Pt2 P3 C61 -0.7(9) .
P4 Pt2 P3 C61 -101.4(14) .
C31 Pt2 P3 C57 49.2(8) .
O13 Pt2 P3 C57 -128.1(8) .
P4 Pt2 P3 C57 131.2(12) .
C31 Pt2 P3 C59 -62.4(7) .
O13 Pt2 P3 C59 120.3(7) .
P4 Pt2 P3 C59 19.7(13) .
C31 Pt2 P4 C65 -111.6(18) .
O13 Pt2 P4 C65 65.3(18) .
P3 Pt2 P4 C65 166(2) .
C31 Pt2 P4 C67 10.9(17) .
O13 Pt2 P4 C67 -172.2(16) .
P3 Pt2 P4 C67 -71(2) .
C31 Pt2 P4 C63' 80(3) .
O13 Pt2 P4 C63' -103(3) .
P3 Pt2 P4 C63' -2(3) .
C31 Pt2 P4 C63 126.7(11) .
O13 Pt2 P4 C63 -56.4(10) .
P3 Pt2 P4 C63 44.8(15) .
C31 Pt2 P4 C67' -48.5(18) .
O13 Pt2 P4 C67' 128.4(18) .
P3 Pt2 P4 C67' -130(2) .
C31 Pt2 P4 C65' -166(2) .
O13 Pt2 P4 C65' 10.4(19) .
P3 Pt2 P4 C65' 112(2) .
C41 Pt1 O1 C1 -166(6) .
P2 Pt1 O1 C1 80.8(9) .
P1 Pt1 O1 C1 -91.0(9) .
C31 Pt2 O13 C22 142(6) .
P4 Pt2 O13 C22 95.0(10) .
P3 Pt2 O13 C22 -77.3(10) .
Pt1 O1 C1 O2 4.1(18) .
Pt1 O1 C1 C2 -176.0(7) .
O2 C1 C2 C7 -13.1(17) .
O1 C1 C2 C7 167.1(11) .
O2 C1 C2 C3 165.5(13) .
O1 C1 C2 C3 -14.4(17) .
C7 C2 C3 C4 2(2) .
C1 C2 C3 C4 -176.9(14) .
C8 O3 C4 C5 -172(2) .
C8 O3 C4 C3 16(3) .
C2 C3 C4 C5 -4(3) .
C2 C3 C4 O3 167.4(18) .
O3 C4 C5 C6 -171.0(15) .
C3 C4 C5 C6 2(3) .
C4 C5 C6 O12 178.6(16) .
C4 C5 C6 C7 3(2) .
C30 O12 C6 C5 6(2) .
C30 O12 C6 C7 -178.0(13) .
C3 C2 C7 C6 3.0(18) .
C1 C2 C7 C6 -178.5(10) .
C5 C6 C7 C2 -5.6(19) .
O12 C6 C7 C2 178.4(11) .
C4 O3 C8 C9 -178(2) .
C10 O4 C9 C8 178(2) .
O3 C8 C9 O4 -65(3) .
C9 O4 C10 C11 -173(2) .
C12 O5 C11 C10 -149(3) .
O4 C10 C11 O5 -80(3) .
C11 O5 C12 C13 165(3) .
O5 C12 C13 O6 46(4) .
C14 O6 C13 C12 174(2) .
C13 O6 C14 C15 -170.6(17) .
C16 O7 C15 C14 110.0(15) .
O6 C14 C15 O7 -81.5(19) .
C15 O7 C16 C21 -30(2) .
C15 O7 C16 C17 154.0(13) .
C21 C16 C17 C18 -4(2) .
O7 C16 C17 C18 172.8(12) .
C16 C17 C18 C19 4(2) .
C16 C17 C18 C22 -175.1(12) .
C17 C18 C19 C20 -5(2) .
C22 C18 C19 C20 174.3(14) .
C23 O8 C20 C21 -8(3) .
C23 O8 C20 C19 173.8(16) .
C18 C19 C20 O8 -176.3(15) .
C18 C19 C20 C21 5(2) .
C17 C16 C21 C20 4(2) .
O7 C16 C21 C20 -172.1(14) .
O8 C20 C21 C16 176.9(16) .
C19 C20 C21 C16 -5(3) .
Pt2 O13 C22 O14 21(2) .
Pt2 O13 C22 C18 -162.3(9) .
C19 C18 C22 O14 173.4(16) .
C17 C18 C22 O14 -7(2) .
C19 C18 C22 O13 -4(2) .
C17 C18 C22 O13 175.6(12) .
C20 O8 C23 C24 -177.7(16) .
C25 O9 C24 C23 69(2) .
O8 C23 C24 O9 -84(2) .
C24 O9 C25 C26 179.9(17) .
O9 C25 C26 O10 -77(2) .
C27 O10 C26 C25 -176.5(19) .
C26 O10 C27 C28 172.0(18) .
C29 O11 C28 C27 -117(2) .
O10 C27 C28 O11 68(2) .
C28 O11 C29 C30 70(2) .
C6 O12 C30 C29 170.8(15) .
O11 C29 C30 O12 -93(2) .
O13 Pt2 C31 C32 -138(5) .
P4 Pt2 C31 C32 -91.0(13) .
P3 Pt2 C31 C32 81.3(13) .
O13 Pt2 C31 C44 45(6) .
P4 Pt2 C31 C44 91.6(11) .
P3 Pt2 C31 C44 -96.1(11) .
C44 C31 C32 C33 5(3) .
Pt2 C31 C32 C33 -172.2(16) .
C31 C32 C33 C34 1(3) .
C32 C33 C34 C35 -5(3) .
C33 C34 C35 C36 176.9(17) .
C33 C34 C35 C44 3(2) .
C34 C35 C36 C37 -178.0(14) .
C44 C35 C36 C37 -4(2) .
C35 C36 C37 C38 174.8(13) .
C35 C36 C37 C42 -6(2) .
C36 C37 C38 C39 177.6(14) .
C42 C37 C38 C39 -2(2) .
C37 C38 C39 C40 0(2) .
C38 C39 C40 C41 -1(2) .
C39 C40 C41 C42 5.2(19) .
C39 C40 C41 Pt1 -171.0(11) .
O1 Pt1 C41 C40 155(5) .
P2 Pt1 C41 C40 -91.6(10) .
P1 Pt1 C41 C40 80.1(10) .
O1 Pt1 C41 C42 -21(6) .
P2 Pt1 C41 C42 92.5(9) .
P1 Pt1 C41 C42 -95.8(9) .
C36 C37 C42 C43 9.6(17) .
C38 C37 C42 C43 -170.8(12) .
C36 C37 C42 C41 -173.8(11) .
C38 C37 C42 C41 5.7(17) .
C40 C41 C42 C43 169.3(11) .
Pt1 C41 C42 C43 -14.6(15) .
C40 C41 C42 C37 -7.1(16) .
Pt1 C41 C42 C37 169.0(8) .
C37 C42 C43 C44 -4.3(17) .
C41 C42 C43 C44 179.3(11) .
C42 C43 C44 C31 174.9(12) .
C42 C43 C44 C35 -5.0(18) .
C32 C31 C44 C43 172.9(14) .
Pt2 C31 C44 C43 -9.6(18) .
C32 C31 C44 C35 -7(2) .
Pt2 C31 C44 C35 170.2(10) .
C36 C35 C44 C43 8.9(18) .
C34 C35 C44 C43 -176.7(13) .
C36 C35 C44 C31 -170.9(12) .
C34 C35 C44 C31 3.4(19) .
C49 P1 C45 C46 48.5(16) .
C47 P1 C45 C46 -59.2(15) .
Pt1 P1 C45 C46 -179.7(12) .
C49 P1 C47 C48 65.9(14) .
C45 P1 C47 C48 177.4(12) .
Pt1 P1 C47 C48 -58.9(13) .
C47 P1 C49 C50 165.0(12) .
C45 P1 C49 C50 57.9(14) .
Pt1 P1 C49 C50 -73.6(13) .
C53' P2 C51 C52 -20(3) .
C55 P2 C51 C52 35(3) .
C53 P2 C51 C52 -74(2) .
C55' P2 C51 C52 71(2) .
Pt1 P2 C51 C52 172.0(17) .
C53' P2 C53 C54 39(4) .
C55 P2 C53 C54 48(3) .
C51 P2 C53 C54 160(3) .
C55' P2 C53 C54 87(4) .
Pt1 P2 C53 C54 -80(3) .
C55 P2 C53' C54 165(5) .
C51 P2 C53' C54 -98(3) .
C53 P2 C53' C54 -26(2) .
C55' P2 C53' C54 -180(3) .
Pt1 P2 C53' C54 70(4) .
P2 C53 C54 C53' -33(3) .
P2 C53' C54 C53 36(3) .
C53' P2 C55 C56 -170(4) .
C51 P2 C55 C56 84(2) .
C53 P2 C55 C56 180(2) .
C55' P2 C55 C56 31(2) .
Pt1 P2 C55 C56 -54(2) .
C53' P2 C55' C56 -58(4) .
C55 P2 C55' C56 -42(3) .
C51 P2 C55' C56 -173(4) .
C53 P2 C55' C56 -97(4) .
Pt1 P2 C55' C56 70(4) .
P2 C55' C56 C55 34(2) .
P2 C55 C56 C55' -47(3) .
C61 P3 C57 C58 45.8(18) .
C59 P3 C57 C58 -60.0(17) .
Pt2 P3 C57 C58 -179.8(13) .
C61 P3 C59 C60 77.0(17) .
C57 P3 C59 C60 -176.0(16) .
Pt2 P3 C59 C60 -53.0(17) .
C57 P3 C61 C62 66.2(19) .
C59 P3 C61 C62 167.8(17) .
Pt2 P3 C61 C62 -66.6(19) .
C65 P4 C63 C64 176(2) .
C67 P4 C63 C64 63(2) .
C63' P4 C63 C64 50(4) .
C67' P4 C63 C64 116(3) .
C65' P4 C63 C64 -174(3) .
Pt2 P4 C63 C64 -58(2) .
C65 P4 C63' C64 -123(4) .
C67 P4 C63' C64 147(6) .
C63 P4 C63' C64 -46(3) .
C67' P4 C63' C64 176(4) .
C65' P4 C63' C64 -84(4) .
Pt2 P4 C63' C64 44(5) .
P4 C63 C64 C63' -51(4) .
P4 C63' C64 C63 50(3) .
C67 P4 C65 C66 166(4) .
C63' P4 C65 C66 99(5) .
C63 P4 C65 C66 53(5) .
C67' P4 C65 C66 -174(5) .
C65' P4 C65 C66 42(4) .
Pt2 P4 C65 C66 -68(4) .
C65 P4 C65' C66 -30(3) .
C67 P4 C65' C66 -110(3) .
C63' P4 C65' C66 -169(4) .
C63 P4 C65' C66 162(4) .
C67' P4 C65' C66 -60(4) .
Pt2 P4 C65' C66 67(4) .
P4 C65 C66 C65' -47(4) .
P4 C65' C66 C65 31(3) .
C65 P4 C67 C68 -28(4) .
C63' P4 C67 C68 97(4) .
C63 P4 C67 C68 87(4) .
C67' P4 C67 C68 -49(4) .
C65' P4 C67 C68 22(5) .
Pt2 P4 C67 C68 -155(3) .
C65 P4 C67' C68 -114(4) .
C67 P4 C67' C68 42(3) .
C63' P4 C67' C68 11(4) .
C63 P4 C67' C68 -31(5) .
C65' P4 C67' C68 -87(4) .
Pt2 P4 C67' C68 143(3) .
P4 C67 C68 C67' 51(3) .
P4 C67' C68 C67 -43(3) .
C70 C69 C70 C71 -165(8) 2_665
C70' C69 C70 C71 20(3) .
C70' C69 C70 C71 -160(3) 2_665
