#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/15/07/7150788.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_7150788
loop_
_publ_author_name
'Maag, Roman'
'Northrop, Brian H.'
'Butterfield, Anna'
'Linden, Anthony'
'Zerbe, Oliver'
'Lee, Young Min'
'Chi, Ki-Whan'
'Stang, Peter J.'
'Siegel, Jay S.'
_publ_section_title
;
 Synthesis and X-ray structural analysis of platinum and
 ethynyl-platinum corannulenes: supramolecular tectons
;
_journal_issue                   23
_journal_name_full               'Organic & Biomolecular Chemistry'
_journal_page_first              4881
_journal_page_last               4885
_journal_paper_doi               10.1039/b916020e
_journal_volume                  7
_journal_year                    2009
_chemical_formula_moiety         'C50 H72 I2 P4 Pt2, 1.5( C H Cl3)'
_chemical_formula_sum            'C51.5 H73.5 Cl4.5 I2 P4 Pt2'
_chemical_formula_weight         1619.89
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             09-03-05
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 115.2373(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.7278(2)
_cell_length_b                   14.8192(1)
_cell_length_c                   22.0662(2)
_cell_measurement_reflns_used    120279
_cell_measurement_temperature    160(1)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.0
_cell_volume                     6131.09(10)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 2000)'
_computing_data_reduction
'DENZO-SMN and SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'SHELXL97 and PLATON (Spek, 2006)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      160(1)
_diffrn_detector                 '65 mm CCD camera on \k goniostat'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type
'Nonius KappaCCD area-detector diffractometer'
_diffrn_measurement_method       'φ and ω scans with κ offsets'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_radiation_source         'Nonius FR590 sealed tube generator'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0766
_diffrn_reflns_av_sigmaI/netI    0.0309
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            141083
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.25
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.877
_exptl_absorpt_correction_T_max  0.511
_exptl_absorpt_correction_T_min  0.260
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.755
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3124
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.12
_refine_diff_density_max         12.493
_refine_diff_density_min         -4.104
_refine_diff_density_rms         0.261
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     557
_refine_ls_number_reflns         14009
_refine_ls_number_restraints     126
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0884
_refine_ls_R_factor_gt           0.0782
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1214P)²+88.0201P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2167
_refine_ls_wR_factor_ref         0.2250
_reflns_number_gt                11811
_reflns_number_total             14009
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            b916020e.txt
_cod_data_source_block           9
_cod_original_cell_volume        6131.09(9)
_cod_original_formula_sum        'C51.50 H73.50 Cl4.50 I2 P4 Pt2'
_cod_database_code               7150788
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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 -0.185129(19) 0.73331(3) 0.43196(2) 0.03582(13) Uani 1 1 d . . .
Pt2 Pt 0.59930(2) 0.59093(3) 0.66132(3) 0.04733(15) Uani 1 1 d . A .
I1 I -0.32609(4) 0.73616(5) 0.38523(5) 0.0551(2) Uani 1 1 d . . .
I2 I 0.70893(6) 0.49286(8) 0.66966(8) 0.0865(4) Uani 1 1 d . . .
P1 P -0.18465(14) 0.89118(18) 0.42786(14) 0.0399(6) Uani 1 1 d D . .
P2 P -0.18361(13) 0.57776(18) 0.44337(13) 0.0363(5) Uani 1 1 d D . .
P3 P 0.53940(17) 0.4620(2) 0.67085(18) 0.0554(8) Uani 1 1 d D . .
P4 P 0.6544(2) 0.7208(3) 0.6493(2) 0.0637(9) Uani 1 1 d D . .
C1 C 0.2186(5) 0.7812(6) 0.5069(5) 0.034(2) Uani 1 1 d . . .
C2 C 0.2857(5) 0.7963(7) 0.5636(5) 0.0329(18) Uani 1 1 d . . .
C3 C 0.2710(5) 0.8263(6) 0.6181(5) 0.0308(18) Uani 1 1 d . . .
C4 C 0.1961(5) 0.8286(6) 0.5957(5) 0.0313(18) Uani 1 1 d . . .
C5 C 0.1646(5) 0.8030(6) 0.5280(5) 0.0325(19) Uani 1 1 d . . .
C6 C 0.2114(6) 0.7207(7) 0.4582(5) 0.038(2) Uani 1 1 d . . .
C7 C 0.2759(7) 0.6819(8) 0.4619(5) 0.046(2) Uani 1 1 d . . .
H7 H 0.2741 0.6449 0.4260 0.055 Uiso 1 1 calc R . .
C8 C 0.3410(6) 0.6963(8) 0.5158(6) 0.047(2) Uani 1 1 d . . .
H8 H 0.3828 0.6708 0.5153 0.056 Uiso 1 1 calc R . .
C9 C 0.3471(5) 0.7496(7) 0.5736(5) 0.035(2) Uani 1 1 d . . .
C10 C 0.4015(5) 0.7496(7) 0.6407(6) 0.038(2) Uani 1 1 d . . .
C11 C 0.3889(5) 0.7794(7) 0.6949(5) 0.038(2) Uani 1 1 d . . .
C12 C 0.3181(5) 0.8138(6) 0.6843(5) 0.0332(19) Uani 1 1 d . . .
C13 C 0.2856(5) 0.8204(6) 0.7301(5) 0.036(2) Uani 1 1 d . . .
H13 H 0.3156 0.8235 0.7768 0.043 Uiso 1 1 calc R . .
C14 C 0.2135(5) 0.8223(7) 0.7094(5) 0.036(2) Uani 1 1 d . . .
H14 H 0.1948 0.8243 0.7420 0.043 Uiso 1 1 calc R . .
C15 C 0.1635(5) 0.8213(6) 0.6375(5) 0.036(2) Uani 1 1 d . . .
C16 C 0.0893(5) 0.7943(7) 0.6065(5) 0.038(2) Uani 1 1 d . . .
C17 C 0.0562(5) 0.7688(6) 0.5388(5) 0.038(2) Uani 1 1 d . . .
C18 C 0.0973(5) 0.7658(6) 0.4989(5) 0.036(2) Uani 1 1 d . . .
C19 C 0.0844(6) 0.7128(8) 0.4395(5) 0.046(2) Uani 1 1 d . . .
H19 H 0.0373 0.6926 0.4126 0.055 Uiso 1 1 calc R . .
C20 C 0.1372(6) 0.6908(8) 0.4206(5) 0.045(2) Uani 1 1 d . . .
H20 H 0.1256 0.6549 0.3817 0.054 Uiso 1 1 calc R . .
C21 C 0.4453(6) 0.7716(9) 0.7656(6) 0.053(3) Uani 1 1 d . . .
H211 H 0.4321 0.7240 0.7890 0.079 Uiso 1 1 calc R . .
H212 H 0.4496 0.8292 0.7888 0.079 Uiso 1 1 calc R . .
H213 H 0.4911 0.7566 0.7650 0.079 Uiso 1 1 calc R . .
C22 C 0.0470(6) 0.7922(9) 0.6478(7) 0.055(3) Uani 1 1 d . . .
H221 H 0.0032 0.7573 0.6241 0.082 Uiso 1 1 calc R . .
H222 H 0.0348 0.8540 0.6548 0.082 Uiso 1 1 calc R . .
H223 H 0.0757 0.7640 0.6912 0.082 Uiso 1 1 calc R . .
C23 C -0.0997(5) 0.9459(8) 0.4472(7) 0.057(3) Uani 1 1 d DU . .
H231 H -0.1047 1.0112 0.4537 0.069 Uiso 1 1 calc R . .
H232 H -0.0638 0.9214 0.4900 0.069 Uiso 1 1 calc R . .
C24 C -0.0717(7) 0.9345(9) 0.3939(7) 0.063(3) Uani 1 1 d DU . .
H241 H -0.0662 0.8702 0.3870 0.095 Uiso 1 1 calc R . .
H242 H -0.0253 0.9646 0.4088 0.095 Uiso 1 1 calc R . .
H243 H -0.1055 0.9616 0.3518 0.095 Uiso 1 1 calc R . .
C25 C -0.2486(6) 0.9419(7) 0.3506(4) 0.050(2) Uani 1 1 d DU . .
H251 H -0.2962 0.9402 0.3510 0.060 Uiso 1 1 calc R . .
H252 H -0.2357 1.0062 0.3503 0.060 Uiso 1 1 calc R . .
C26 C -0.2546(8) 0.8983(9) 0.2858(6) 0.062(3) Uani 1 1 d DU . .
H261 H -0.2077 0.8983 0.2850 0.093 Uiso 1 1 calc R . .
H262 H -0.2884 0.9325 0.2474 0.093 Uiso 1 1 calc R . .
H263 H -0.2714 0.8360 0.2835 0.093 Uiso 1 1 calc R . .
C27 C -0.2093(8) 0.9449(13) 0.4891(6) 0.079(4) Uani 1 1 d DU . .
H271 H -0.2194 1.0095 0.4771 0.095 Uiso 1 1 calc R . .
H272 H -0.2539 0.9170 0.4862 0.095 Uiso 1 1 calc R . .
C28 C -0.1528(9) 0.9385(15) 0.5612(7) 0.087(4) Uani 1 1 d DU . .
H281 H -0.1364 0.8759 0.5713 0.131 Uiso 1 1 calc R . .
H282 H -0.1734 0.9578 0.5917 0.131 Uiso 1 1 calc R . .
H283 H -0.1124 0.9775 0.5671 0.131 Uiso 1 1 calc R . .
C29 C -0.2515(5) 0.5161(6) 0.3727(5) 0.047(2) Uani 1 1 d DU . .
H291 H -0.2992 0.5373 0.3666 0.056 Uiso 1 1 calc R . .
H292 H -0.2460 0.5317 0.3315 0.056 Uiso 1 1 calc R . .
C30 C -0.2492(7) 0.4133(7) 0.3797(6) 0.050(2) Uani 1 1 d DU . .
H301 H -0.1994 0.3930 0.3998 0.075 Uiso 1 1 calc R . .
H302 H -0.2744 0.3857 0.3354 0.075 Uiso 1 1 calc R . .
H303 H -0.2722 0.3954 0.4085 0.075 Uiso 1 1 calc R . .
C31 C -0.0999(5) 0.5213(8) 0.4560(5) 0.050(2) Uani 1 1 d DU . .
H311 H -0.0600 0.5494 0.4946 0.060 Uiso 1 1 calc R . .
H312 H -0.1025 0.4571 0.4670 0.060 Uiso 1 1 calc R . .
C32 C -0.0844(6) 0.5272(10) 0.3943(5) 0.054(2) Uani 1 1 d DU . .
H321 H -0.1244 0.5013 0.3556 0.082 Uiso 1 1 calc R . .
H322 H -0.0408 0.4936 0.4025 0.082 Uiso 1 1 calc R . .
H323 H -0.0781 0.5906 0.3852 0.082 Uiso 1 1 calc R . .
C33 C -0.1990(6) 0.5467(8) 0.5168(4) 0.053(2) Uani 1 1 d DU . .
H331 H -0.2464 0.5698 0.5103 0.064 Uiso 1 1 calc R . .
H332 H -0.2005 0.4801 0.5193 0.064 Uiso 1 1 calc R . .
C34 C -0.1429(7) 0.5824(10) 0.5835(6) 0.062(3) Uani 1 1 d DU . .
H341 H -0.0991 0.5468 0.5970 0.093 Uiso 1 1 calc R . .
H342 H -0.1610 0.5774 0.6178 0.093 Uiso 1 1 calc R . .
H343 H -0.1327 0.6458 0.5783 0.093 Uiso 1 1 calc R . .
C35 C -0.0815(6) 0.7368(7) 0.4756(6) 0.041(2) Uani 1 1 d . . .
C36 C -0.0173(6) 0.7452(7) 0.5069(6) 0.047(3) Uani 1 1 d . . .
C37 C 0.4645(9) 0.4823(14) 0.6913(10) 0.105(6) Uani 1 1 d DU . .
H371 H 0.4318 0.5275 0.6603 0.126 Uiso 1 1 calc R . .
H372 H 0.4376 0.4257 0.6873 0.126 Uiso 1 1 calc R . .
C38 C 0.4950(13) 0.5176(15) 0.7640(11) 0.114(6) Uani 1 1 d DU . .
H381 H 0.5300 0.4745 0.7937 0.171 Uiso 1 1 calc R . .
H382 H 0.4562 0.5247 0.7778 0.171 Uiso 1 1 calc R . .
H383 H 0.5181 0.5761 0.7665 0.171 Uiso 1 1 calc R . .
C39 C 0.5929(9) 0.3758(11) 0.7293(11) 0.103(5) Uani 1 1 d DU . .
H391 H 0.6283 0.3534 0.7137 0.124 Uiso 1 1 calc R . .
H392 H 0.6198 0.4049 0.7733 0.124 Uiso 1 1 calc R . .
C40 C 0.5535(11) 0.2934(13) 0.7400(13) 0.104(5) Uani 1 1 d DU . .
H401 H 0.5117 0.3139 0.7461 0.155 Uiso 1 1 calc R . .
H402 H 0.5856 0.2603 0.7800 0.155 Uiso 1 1 calc R . .
H403 H 0.5382 0.2537 0.7008 0.155 Uiso 1 1 calc R . .
C41 C 0.4966(12) 0.4037(12) 0.5910(7) 0.111(6) Uani 1 1 d DU . .
H411 H 0.5333 0.3863 0.5755 0.133 Uiso 1 1 calc R . .
H412 H 0.4741 0.3477 0.5972 0.133 Uiso 1 1 calc R . .
C42 C 0.4395(11) 0.4626(13) 0.5369(9) 0.113(6) Uani 1 1 d DU . .
H421 H 0.3957 0.4619 0.5436 0.170 Uiso 1 1 calc R . .
H422 H 0.4296 0.4386 0.4924 0.170 Uiso 1 1 calc R . .
H423 H 0.4571 0.5247 0.5405 0.170 Uiso 1 1 calc R . .
C43 C 0.5972(14) 0.8159(14) 0.6087(16) 0.162(11) Uani 1 1 d DU A .
H431 H 0.5660 0.8292 0.6313 0.194 Uiso 1 1 calc R . .
H432 H 0.6267 0.8699 0.6124 0.194 Uiso 1 1 calc R . .
C44 C 0.5512(16) 0.7944(18) 0.5345(16) 0.164(11) Uani 1 1 d DU . .
H441 H 0.5799 0.7618 0.5161 0.246 Uiso 1 1 calc R A .
H442 H 0.5337 0.8508 0.5096 0.246 Uiso 1 1 calc R . .
H443 H 0.5106 0.7570 0.5304 0.246 Uiso 1 1 calc R . .
C45 C 0.7024(12) 0.7088(14) 0.5977(12) 0.103(5) Uani 1 1 d DU A .
H451 H 0.7372 0.6590 0.6162 0.124 Uiso 1 1 calc R . .
H452 H 0.6680 0.6906 0.5522 0.124 Uiso 1 1 calc R . .
C46 C 0.7426(12) 0.7928(14) 0.5914(12) 0.103(5) Uani 1 1 d DU . .
H461 H 0.7094 0.8437 0.5752 0.154 Uiso 1 1 calc R A .
H462 H 0.7631 0.7806 0.5595 0.154 Uiso 1 1 calc R . .
H463 H 0.7809 0.8075 0.6352 0.154 Uiso 1 1 calc R . .
C47A C 0.734(3) 0.742(10) 0.7253(19) 0.121(11) Uani 0.27(4) 1 d PDU A 1
H471 H 0.7728 0.7067 0.7211 0.145 Uiso 0.27(4) 1 calc PR A 1
H472 H 0.7462 0.8062 0.7239 0.145 Uiso 0.27(4) 1 calc PR A 1
C48A C 0.741(6) 0.724(7) 0.797(3) 0.121(11) Uani 0.27(4) 1 d PDU A 1
H481 H 0.7099 0.7654 0.8061 0.182 Uiso 0.27(4) 1 calc PR A 1
H482 H 0.7909 0.7346 0.8289 0.182 Uiso 0.27(4) 1 calc PR A 1
H483 H 0.7280 0.6618 0.8001 0.182 Uiso 0.27(4) 1 calc PR A 1
C47B C 0.7161(16) 0.765(3) 0.7300(10) 0.120(11) Uani 0.73(4) 1 d PDU A 2
H473 H 0.7563 0.7220 0.7516 0.144 Uiso 0.73(4) 1 calc PR A 2
H474 H 0.7356 0.8232 0.7242 0.144 Uiso 0.73(4) 1 calc PR A 2
C48B C 0.675(2) 0.777(3) 0.7736(13) 0.122(11) Uani 0.73(4) 1 d PDU A 2
H484 H 0.6304 0.8081 0.7479 0.182 Uiso 0.73(4) 1 calc PR A 2
H485 H 0.7045 0.8120 0.8135 0.182 Uiso 0.73(4) 1 calc PR A 2
H486 H 0.6656 0.7172 0.7874 0.182 Uiso 0.73(4) 1 calc PR A 2
C49 C 0.5195(6) 0.6638(8) 0.6565(7) 0.049(3) Uani 1 1 d . . .
C50 C 0.4676(6) 0.7061(8) 0.6521(6) 0.048(3) Uani 1 1 d . A .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 206 0.0033 0.0016
; International Tables for Crystallography (1992).
Vol. C, Tables 4.2.6.8 and 6.1.1.4
;
H H 294 0.0000 0.0000
; International Tables for Crystallography (1992).
Vol. C, Tables 4.2.6.8 and 6.1.1.4
;
Cl Cl 18 -0.4742 1.8119
; International Tables for Crystallography (1992).
Vol. C, Tables 4.2.6.8 and 6.1.1.4
;
I I 8 0.1023 0.0942
; International Tables for Crystallography (1992).
Vol. C, Tables 4.2.6.8 and 6.1.1.4
;
P P 16 -1.7033 8.3905
; International Tables for Crystallography (1992).
Vol. C, Tables 4.2.6.8 and 6.1.1.4
;
Pt Pt 8 0.1484 0.1585
; International Tables for Crystallography (1992).
Vol. C, Tables 4.2.6.8 and 6.1.1.4
;
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C35 Pt1 P2 90.7(3) . . ?
C35 Pt1 P1 88.3(3) . . ?
P2 Pt1 P1 176.29(10) . . ?
C35 Pt1 I1 173.5(4) . . ?
P2 Pt1 I1 91.13(6) . . ?
P1 Pt1 I1 89.49(7) . . ?
C49 Pt2 P4 88.9(3) . . ?
C49 Pt2 P3 89.3(3) . . ?
P4 Pt2 P3 177.80(14) . . ?
C49 Pt2 I2 179.2(4) . . ?
P4 Pt2 I2 90.81(9) . . ?
P3 Pt2 I2 91.05(9) . . ?
C23 P1 C25 106.4(6) . . ?
C23 P1 C27 100.5(7) . . ?
C25 P1 C27 101.0(6) . . ?
C23 P1 Pt1 117.2(4) . . ?
C25 P1 Pt1 115.9(4) . . ?
C27 P1 Pt1 113.7(7) . . ?
C31 P2 C29 103.6(6) . . ?
C31 P2 C33 105.1(5) . . ?
C29 P2 C33 105.4(5) . . ?
C31 P2 Pt1 115.9(4) . . ?
C29 P2 Pt1 115.6(3) . . ?
C33 P2 Pt1 110.2(4) . . ?
C37 P3 C39 105.5(10) . . ?
C37 P3 C41 101.8(10) . . ?
C39 P3 C41 104.5(10) . . ?
C37 P3 Pt2 115.5(7) . . ?
C39 P3 Pt2 116.8(6) . . ?
C41 P3 Pt2 111.1(7) . . ?
C43 P4 C47B 104.3(19) . . ?
C43 P4 C47A 118(5) . . ?
C43 P4 C45 100.7(14) . . ?
C47B P4 C45 107.7(12) . . ?
C47A P4 C45 94(3) . . ?
C43 P4 Pt2 117.0(10) . . ?
C47B P4 Pt2 111.2(14) . . ?
C47A P4 Pt2 110(4) . . ?
C45 P4 Pt2 114.9(6) . . ?
C6 C1 C5 125.0(10) . . ?
C6 C1 C2 122.0(9) . . ?
C5 C1 C2 106.6(8) . . ?
C9 C2 C3 122.2(9) . . ?
C9 C2 C1 123.1(9) . . ?
C3 C2 C1 107.8(8) . . ?
C12 C3 C4 123.3(9) . . ?
C12 C3 C2 122.6(9) . . ?
C4 C3 C2 107.9(8) . . ?
C15 C4 C5 124.2(9) . . ?
C15 C4 C3 123.2(9) . . ?
C5 C4 C3 108.0(9) . . ?
C18 C5 C4 121.5(9) . . ?
C18 C5 C1 122.6(9) . . ?
C4 C5 C1 109.7(8) . . ?
C1 C6 C7 116.0(10) . . ?
C1 C6 C20 112.3(10) . . ?
C7 C6 C20 129.9(10) . . ?
C8 C7 C6 122.2(10) . . ?
C8 C7 H7 118.9 . . ?
C6 C7 H7 118.9 . . ?
C7 C8 C9 121.7(10) . . ?
C7 C8 H8 119.1 . . ?
C9 C8 H8 119.1 . . ?
C2 C9 C10 115.6(9) . . ?
C2 C9 C8 113.6(9) . . ?
C10 C9 C8 129.9(10) . . ?
C11 C10 C9 122.3(9) . . ?
C11 C10 C50 120.2(10) . . ?
C9 C10 C50 117.0(10) . . ?
C10 C11 C12 120.5(9) . . ?
C10 C11 C21 121.1(10) . . ?
C12 C11 C21 118.3(10) . . ?
C3 C12 C13 113.8(9) . . ?
C3 C12 C11 115.0(9) . . ?
C13 C12 C11 130.1(9) . . ?
C14 C13 C12 122.7(9) . . ?
C14 C13 H13 118.7 . . ?
C12 C13 H13 118.7 . . ?
C13 C14 C15 121.7(9) . . ?
C13 C14 H14 119.2 . . ?
C15 C14 H14 119.2 . . ?
C4 C15 C16 115.8(9) . . ?
C4 C15 C14 113.9(9) . . ?
C16 C15 C14 128.8(9) . . ?
C17 C16 C15 121.1(10) . . ?
C17 C16 C22 119.4(9) . . ?
C15 C16 C22 119.5(10) . . ?
C16 C17 C36 121.8(11) . . ?
C16 C17 C18 120.1(9) . . ?
C36 C17 C18 118.0(10) . . ?
C5 C18 C19 113.4(10) . . ?
C5 C18 C17 116.2(9) . . ?
C19 C18 C17 129.0(10) . . ?
C20 C19 C18 122.8(10) . . ?
C20 C19 H19 118.6 . . ?
C18 C19 H19 118.6 . . ?
C19 C20 C6 122.5(10) . . ?
C19 C20 H20 118.7 . . ?
C6 C20 H20 118.7 . . ?
C11 C21 H211 109.5 . . ?
C11 C21 H212 109.5 . . ?
H211 C21 H212 109.5 . . ?
C11 C21 H213 109.5 . . ?
H211 C21 H213 109.5 . . ?
H212 C21 H213 109.5 . . ?
C16 C22 H221 109.5 . . ?
C16 C22 H222 109.5 . . ?
H221 C22 H222 109.5 . . ?
C16 C22 H223 109.5 . . ?
H221 C22 H223 109.5 . . ?
H222 C22 H223 109.5 . . ?
C24 C23 P1 114.8(8) . . ?
C24 C23 H231 108.6 . . ?
P1 C23 H231 108.6 . . ?
C24 C23 H232 108.6 . . ?
P1 C23 H232 108.6 . . ?
H231 C23 H232 107.5 . . ?
C23 C24 H241 109.5 . . ?
C23 C24 H242 109.5 . . ?
H241 C24 H242 109.5 . . ?
C23 C24 H243 109.5 . . ?
H241 C24 H243 109.5 . . ?
H242 C24 H243 109.5 . . ?
C26 C25 P1 116.0(8) . . ?
C26 C25 H251 108.3 . . ?
P1 C25 H251 108.3 . . ?
C26 C25 H252 108.3 . . ?
P1 C25 H252 108.3 . . ?
H251 C25 H252 107.4 . . ?
C25 C26 H261 109.5 . . ?
C25 C26 H262 109.5 . . ?
H261 C26 H262 109.5 . . ?
C25 C26 H263 109.5 . . ?
H261 C26 H263 109.5 . . ?
H262 C26 H263 109.5 . . ?
C28 C27 P1 114.5(10) . . ?
C28 C27 H271 108.6 . . ?
P1 C27 H271 108.6 . . ?
C28 C27 H272 108.6 . . ?
P1 C27 H272 108.6 . . ?
H271 C27 H272 107.6 . . ?
C27 C28 H281 109.5 . . ?
C27 C28 H282 109.5 . . ?
H281 C28 H282 109.5 . . ?
C27 C28 H283 109.5 . . ?
H281 C28 H283 109.5 . . ?
H282 C28 H283 109.5 . . ?
C30 C29 P2 115.4(7) . . ?
C30 C29 H291 108.4 . . ?
P2 C29 H291 108.4 . . ?
C30 C29 H292 108.4 . . ?
P2 C29 H292 108.4 . . ?
H291 C29 H292 107.5 . . ?
C29 C30 H301 109.5 . . ?
C29 C30 H302 109.5 . . ?
H301 C30 H302 109.5 . . ?
C29 C30 H303 109.5 . . ?
H301 C30 H303 109.5 . . ?
H302 C30 H303 109.5 . . ?
C32 C31 P2 112.5(7) . . ?
C32 C31 H311 109.1 . . ?
P2 C31 H311 109.1 . . ?
C32 C31 H312 109.1 . . ?
P2 C31 H312 109.1 . . ?
H311 C31 H312 107.8 . . ?
C31 C32 H321 109.5 . . ?
C31 C32 H322 109.5 . . ?
H321 C32 H322 109.5 . . ?
C31 C32 H323 109.5 . . ?
H321 C32 H323 109.5 . . ?
H322 C32 H323 109.5 . . ?
C34 C33 P2 114.5(8) . . ?
C34 C33 H331 108.6 . . ?
P2 C33 H331 108.6 . . ?
C34 C33 H332 108.6 . . ?
P2 C33 H332 108.6 . . ?
H331 C33 H332 107.6 . . ?
C33 C34 H341 109.5 . . ?
C33 C34 H342 109.5 . . ?
H341 C34 H342 109.5 . . ?
C33 C34 H343 109.5 . . ?
H341 C34 H343 109.5 . . ?
H342 C34 H343 109.5 . . ?
C36 C35 Pt1 173.8(11) . . ?
C35 C36 C17 170.9(11) . . ?
C38 C37 P3 107.4(13) . . ?
C38 C37 H371 110.2 . . ?
P3 C37 H371 110.2 . . ?
C38 C37 H372 110.2 . . ?
P3 C37 H372 110.2 . . ?
H371 C37 H372 108.5 . . ?
C37 C38 H381 109.5 . . ?
C37 C38 H382 109.5 . . ?
H381 C38 H382 109.5 . . ?
C37 C38 H383 109.5 . . ?
H381 C38 H383 109.5 . . ?
H382 C38 H383 109.5 . . ?
C40 C39 P3 117.5(13) . . ?
C40 C39 H391 107.9 . . ?
P3 C39 H391 107.9 . . ?
C40 C39 H392 107.9 . . ?
P3 C39 H392 107.9 . . ?
H391 C39 H392 107.2 . . ?
C39 C40 H401 109.5 . . ?
C39 C40 H402 109.5 . . ?
H401 C40 H402 109.5 . . ?
C39 C40 H403 109.5 . . ?
H401 C40 H403 109.5 . . ?
H402 C40 H403 109.5 . . ?
C42 C41 P3 112.1(12) . . ?
C42 C41 H411 109.2 . . ?
P3 C41 H411 109.2 . . ?
C42 C41 H412 109.2 . . ?
P3 C41 H412 109.2 . . ?
H411 C41 H412 107.9 . . ?
C41 C42 H421 109.5 . . ?
C41 C42 H422 109.5 . . ?
H421 C42 H422 109.5 . . ?
C41 C42 H423 109.5 . . ?
H421 C42 H423 109.5 . . ?
H422 C42 H423 109.5 . . ?
C44 C43 P4 110.1(18) . . ?
C44 C43 H431 109.6 . . ?
P4 C43 H431 109.6 . . ?
C44 C43 H432 109.6 . . ?
P4 C43 H432 109.6 . . ?
H431 C43 H432 108.2 . . ?
C43 C44 H441 109.5 . . ?
C43 C44 H442 109.5 . . ?
H441 C44 H442 109.5 . . ?
C43 C44 H443 109.5 . . ?
H441 C44 H443 109.5 . . ?
H442 C44 H443 109.5 . . ?
C46 C45 P4 116.2(14) . . ?
C46 C45 H451 108.2 . . ?
P4 C45 H451 108.2 . . ?
C46 C45 H452 108.2 . . ?
P4 C45 H452 108.2 . . ?
H451 C45 H452 107.4 . . ?
C45 C46 H461 109.5 . . ?
C45 C46 H462 109.5 . . ?
H461 C46 H462 109.5 . . ?
C45 C46 H463 109.5 . . ?
H461 C46 H463 109.5 . . ?
H462 C46 H463 109.5 . . ?
C48A C47A P4 125(5) . . ?
C48A C47A H471 106.1 . . ?
P4 C47A H471 106.1 . . ?
C48A C47A H472 106.1 . . ?
P4 C47A H472 106.1 . . ?
H471 C47A H472 106.3 . . ?
C48B C47B P4 108.1(16) . . ?
C48B C47B H473 110.1 . . ?
P4 C47B H473 110.1 . . ?
C48B C47B H474 110.1 . . ?
P4 C47B H474 110.1 . . ?
H473 C47B H474 108.4 . . ?
C47B C48B H484 109.5 . . ?
C47B C48B H485 109.5 . . ?
H484 C48B H485 109.5 . . ?
C47B C48B H486 109.5 . . ?
H484 C48B H486 109.5 . . ?
H485 C48B H486 109.5 . . ?
C50 C49 Pt2 177.0(11) . . ?
C49 C50 C10 173.6(13) . . ?
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 C35 1.945(11) . ?
Pt1 P2 2.318(3) . ?
Pt1 P1 2.341(3) . ?
Pt1 I1 2.6519(8) . ?
Pt2 C49 1.940(11) . ?
Pt2 P4 2.310(4) . ?
Pt2 P3 2.336(3) . ?
Pt2 I2 2.6369(10) . ?
P1 C23 1.816(8) . ?
P1 C25 1.817(8) . ?
P1 C27 1.819(8) . ?
P2 C31 1.837(7) . ?
P2 C29 1.838(7) . ?
P2 C33 1.838(7) . ?
P3 C37 1.818(11) . ?
P3 C39 1.818(11) . ?
P3 C41 1.819(11) . ?
P4 C43 1.812(13) . ?
P4 C47B 1.813(13) . ?
P4 C47A 1.813(13) . ?
P4 C45 1.813(13) . ?
C1 C6 1.359(15) . ?
C1 C5 1.419(14) . ?
C1 C2 1.436(13) . ?
C2 C9 1.382(14) . ?
C2 C3 1.432(14) . ?
C3 C12 1.380(13) . ?
C3 C4 1.415(13) . ?
C4 C15 1.361(14) . ?
C4 C5 1.403(14) . ?
C5 C18 1.379(13) . ?
C6 C7 1.425(16) . ?
C6 C20 1.470(16) . ?
C7 C8 1.383(17) . ?
C7 H7 0.9500 . ?
C8 C9 1.459(15) . ?
C8 H8 0.9500 . ?
C9 C10 1.428(14) . ?
C10 C11 1.400(16) . ?
C10 C50 1.436(15) . ?
C11 C12 1.476(14) . ?
C11 C21 1.502(14) . ?
C12 C13 1.437(14) . ?
C13 C14 1.366(14) . ?
C13 H13 0.9500 . ?
C14 C15 1.478(14) . ?
C14 H14 0.9500 . ?
C15 C16 1.449(13) . ?
C16 C17 1.404(15) . ?
C16 C22 1.509(16) . ?
C17 C36 1.422(15) . ?
C17 C18 1.465(15) . ?
C18 C19 1.451(16) . ?
C19 C20 1.367(17) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 H211 0.9800 . ?
C21 H212 0.9800 . ?
C21 H213 0.9800 . ?
C22 H221 0.9800 . ?
C22 H222 0.9800 . ?
C22 H223 0.9800 . ?
C23 C24 1.526(12) . ?
C23 H231 0.9900 . ?
C23 H232 0.9900 . ?
C24 H241 0.9800 . ?
C24 H242 0.9800 . ?
C24 H243 0.9800 . ?
C25 C26 1.526(12) . ?
C25 H251 0.9900 . ?
C25 H252 0.9900 . ?
C26 H261 0.9800 . ?
C26 H262 0.9800 . ?
C26 H263 0.9800 . ?
C27 C28 1.525(12) . ?
C27 H271 0.9900 . ?
C27 H272 0.9900 . ?
C28 H281 0.9800 . ?
C28 H282 0.9800 . ?
C28 H283 0.9800 . ?
C29 C30 1.530(10) . ?
C29 H291 0.9900 . ?
C29 H292 0.9900 . ?
C30 H301 0.9800 . ?
C30 H302 0.9800 . ?
C30 H303 0.9800 . ?
C31 C32 1.530(10) . ?
C31 H311 0.9900 . ?
C31 H312 0.9900 . ?
C32 H321 0.9800 . ?
C32 H322 0.9800 . ?
C32 H323 0.9800 . ?
C33 C34 1.529(10) . ?
C33 H331 0.9900 . ?
C33 H332 0.9900 . ?
C34 H341 0.9800 . ?
C34 H342 0.9800 . ?
C34 H343 0.9800 . ?
C35 C36 1.216(16) . ?
C37 C38 1.542(17) . ?
C37 H371 0.9900 . ?
C37 H372 0.9900 . ?
C38 H381 0.9800 . ?
C38 H382 0.9800 . ?
C38 H383 0.9800 . ?
C39 C40 1.543(16) . ?
C39 H391 0.9900 . ?
C39 H392 0.9900 . ?
C40 H401 0.9800 . ?
C40 H402 0.9800 . ?
C40 H403 0.9800 . ?
C41 C42 1.543(17) . ?
C41 H411 0.9900 . ?
C41 H412 0.9900 . ?
C42 H421 0.9800 . ?
C42 H422 0.9800 . ?
C42 H423 0.9800 . ?
C43 C44 1.537(19) . ?
C43 H431 0.9900 . ?
C43 H432 0.9900 . ?
C44 H441 0.9800 . ?
C44 H442 0.9800 . ?
C44 H443 0.9800 . ?
C45 C46 1.536(19) . ?
C45 H451 0.9900 . ?
C45 H452 0.9900 . ?
C46 H461 0.9800 . ?
C46 H462 0.9800 . ?
C46 H463 0.9800 . ?
C47A C48A 1.54(2) . ?
C47A H471 0.9900 . ?
C47A H472 0.9900 . ?
C48A H481 0.9800 . ?
C48A H482 0.9800 . ?
C48A H483 0.9800 . ?
C47B C48B 1.537(19) . ?
C47B H473 0.9900 . ?
C47B H474 0.9900 . ?
C48B H484 0.9800 . ?
C48B H485 0.9800 . ?
C48B H486 0.9800 . ?
C49 C50 1.213(16) . ?
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
C35 Pt1 P1 C23 11.9(6) . . . . ?
P2 Pt1 P1 C23 86.0(15) . . . . ?
I1 Pt1 P1 C23 -174.3(5) . . . . ?
C35 Pt1 P1 C25 138.8(6) . . . . ?
P2 Pt1 P1 C25 -147.1(14) . . . . ?
I1 Pt1 P1 C25 -47.3(5) . . . . ?
C35 Pt1 P1 C27 -104.7(6) . . . . ?
P2 Pt1 P1 C27 -30.6(16) . . . . ?
I1 Pt1 P1 C27 69.1(5) . . . . ?
C35 Pt1 P2 C31 -20.8(5) . . . . ?
P1 Pt1 P2 C31 -94.8(15) . . . . ?
I1 Pt1 P2 C31 165.5(4) . . . . ?
C35 Pt1 P2 C29 -142.3(6) . . . . ?
P1 Pt1 P2 C29 143.7(14) . . . . ?
I1 Pt1 P2 C29 44.0(5) . . . . ?
C35 Pt1 P2 C33 98.4(5) . . . . ?
P1 Pt1 P2 C33 24.3(15) . . . . ?
I1 Pt1 P2 C33 -75.4(4) . . . . ?
C49 Pt2 P3 C37 -15.1(9) . . . . ?
P4 Pt2 P3 C37 -49(4) . . . . ?
I2 Pt2 P3 C37 164.1(8) . . . . ?
C49 Pt2 P3 C39 -140.1(10) . . . . ?
P4 Pt2 P3 C39 -174(4) . . . . ?
I2 Pt2 P3 C39 39.1(10) . . . . ?
C49 Pt2 P3 C41 100.1(9) . . . . ?
P4 Pt2 P3 C41 67(4) . . . . ?
I2 Pt2 P3 C41 -80.6(8) . . . . ?
C49 Pt2 P4 C43 -24.0(13) . . . . ?
P3 Pt2 P4 C43 10(4) . . . . ?
I2 Pt2 P4 C43 156.8(13) . . . . ?
C49 Pt2 P4 C47B 95.6(16) . . . . ?
P3 Pt2 P4 C47B 129(4) . . . . ?
I2 Pt2 P4 C47B -83.6(15) . . . . ?
C49 Pt2 P4 C47A 114(4) . . . . ?
P3 Pt2 P4 C47A 148(5) . . . . ?
I2 Pt2 P4 C47A -65(4) . . . . ?
C49 Pt2 P4 C45 -141.7(10) . . . . ?
P3 Pt2 P4 C45 -108(4) . . . . ?
I2 Pt2 P4 C45 39.1(10) . . . . ?
C6 C1 C2 C9 -1.3(15) . . . . ?
C5 C1 C2 C9 151.7(9) . . . . ?
C6 C1 C2 C3 -152.7(9) . . . . ?
C5 C1 C2 C3 0.4(10) . . . . ?
C9 C2 C3 C12 2.4(14) . . . . ?
C1 C2 C3 C12 154.0(8) . . . . ?
C9 C2 C3 C4 -150.9(9) . . . . ?
C1 C2 C3 C4 0.8(10) . . . . ?
C12 C3 C4 C15 2.0(14) . . . . ?
C2 C3 C4 C15 155.0(9) . . . . ?
C12 C3 C4 C5 -154.7(8) . . . . ?
C2 C3 C4 C5 -1.7(10) . . . . ?
C15 C4 C5 C18 -1.5(14) . . . . ?
C3 C4 C5 C18 154.9(8) . . . . ?
C15 C4 C5 C1 -154.4(9) . . . . ?
C3 C4 C5 C1 2.0(10) . . . . ?
C6 C1 C5 C18 -2.0(14) . . . . ?
C2 C1 C5 C18 -154.0(9) . . . . ?
C6 C1 C5 C4 150.6(9) . . . . ?
C2 C1 C5 C4 -1.5(10) . . . . ?
C5 C1 C6 C7 -156.1(9) . . . . ?
C2 C1 C6 C7 -8.1(14) . . . . ?
C5 C1 C6 C20 10.1(14) . . . . ?
C2 C1 C6 C20 158.1(9) . . . . ?
C1 C6 C7 C8 7.5(15) . . . . ?
C20 C6 C7 C8 -155.7(11) . . . . ?
C6 C7 C8 C9 2.2(17) . . . . ?
C3 C2 C9 C10 -12.6(14) . . . . ?
C1 C2 C9 C10 -159.9(9) . . . . ?
C3 C2 C9 C8 158.0(9) . . . . ?
C1 C2 C9 C8 10.7(14) . . . . ?
C7 C8 C9 C2 -11.0(15) . . . . ?
C7 C8 C9 C10 157.8(11) . . . . ?
C2 C9 C10 C11 11.8(14) . . . . ?
C8 C9 C10 C11 -156.9(11) . . . . ?
C2 C9 C10 C50 -176.5(10) . . . . ?
C8 C9 C10 C50 14.8(16) . . . . ?
C9 C10 C11 C12 -1.0(15) . . . . ?
C50 C10 C11 C12 -172.4(9) . . . . ?
C9 C10 C11 C21 175.0(10) . . . . ?
C50 C10 C11 C21 3.6(16) . . . . ?
C4 C3 C12 C13 -11.2(13) . . . . ?
C2 C3 C12 C13 -160.4(8) . . . . ?
C4 C3 C12 C11 157.8(8) . . . . ?
C2 C3 C12 C11 8.6(13) . . . . ?
C10 C11 C12 C3 -9.2(13) . . . . ?
C21 C11 C12 C3 174.7(9) . . . . ?
C10 C11 C12 C13 157.6(10) . . . . ?
C21 C11 C12 C13 -18.5(15) . . . . ?
C3 C12 C13 C14 11.3(13) . . . . ?
C11 C12 C13 C14 -155.6(10) . . . . ?
C12 C13 C14 C15 -2.4(15) . . . . ?
C5 C4 C15 C16 -6.9(13) . . . . ?
C3 C4 C15 C16 -159.8(9) . . . . ?
C5 C4 C15 C14 160.2(8) . . . . ?
C3 C4 C15 C14 7.3(13) . . . . ?
C13 C14 C15 C4 -7.0(13) . . . . ?
C13 C14 C15 C16 158.0(10) . . . . ?
C4 C15 C16 C17 6.2(13) . . . . ?
C14 C15 C16 C17 -158.6(9) . . . . ?
C4 C15 C16 C22 -174.7(10) . . . . ?
C14 C15 C16 C22 20.5(15) . . . . ?
C15 C16 C17 C36 -177.7(9) . . . . ?
C22 C16 C17 C36 3.2(15) . . . . ?
C15 C16 C17 C18 2.3(14) . . . . ?
C22 C16 C17 C18 -176.7(10) . . . . ?
C4 C5 C18 C19 -157.5(9) . . . . ?
C1 C5 C18 C19 -8.1(13) . . . . ?
C4 C5 C18 C17 10.1(13) . . . . ?
C1 C5 C18 C17 159.5(8) . . . . ?
C16 C17 C18 C5 -10.4(13) . . . . ?
C36 C17 C18 C5 169.7(9) . . . . ?
C16 C17 C18 C19 154.9(10) . . . . ?
C36 C17 C18 C19 -25.0(15) . . . . ?
C5 C18 C19 C20 9.5(15) . . . . ?
C17 C18 C19 C20 -156.1(11) . . . . ?
C18 C19 C20 C6 -1.3(17) . . . . ?
C1 C6 C20 C19 -8.4(15) . . . . ?
C7 C6 C20 C19 155.3(11) . . . . ?
C25 P1 C23 C24 -60.4(11) . . . . ?
C27 P1 C23 C24 -165.3(11) . . . . ?
Pt1 P1 C23 C24 71.0(11) . . . . ?
C23 P1 C25 C26 87.9(10) . . . . ?
C27 P1 C25 C26 -167.7(11) . . . . ?
Pt1 P1 C25 C26 -44.3(11) . . . . ?
C23 P1 C27 C28 -53.9(16) . . . . ?
C25 P1 C27 C28 -163.1(14) . . . . ?
Pt1 P1 C27 C28 72.1(15) . . . . ?
C31 P2 C29 C30 50.7(10) . . . . ?
C33 P2 C29 C30 -59.4(11) . . . . ?
Pt1 P2 C29 C30 178.6(8) . . . . ?
C29 P2 C31 C32 60.5(10) . . . . ?
C33 P2 C31 C32 170.9(9) . . . . ?
Pt1 P2 C31 C32 -67.2(10) . . . . ?
C31 P2 C33 C34 64.5(11) . . . . ?
C29 P2 C33 C34 173.5(10) . . . . ?
Pt1 P2 C33 C34 -61.1(10) . . . . ?
P2 Pt1 C35 C36 -129(9) . . . . ?
P1 Pt1 C35 C36 48(9) . . . . ?
I1 Pt1 C35 C36 -22(11) . . . . ?
Pt1 C35 C36 C17 -68(15) . . . . ?
C16 C17 C36 C35 103(9) . . . . ?
C18 C17 C36 C35 -77(9) . . . . ?
C39 P3 C37 C38 61.8(16) . . . . ?
C41 P3 C37 C38 170.7(14) . . . . ?
Pt2 P3 C37 C38 -68.9(15) . . . . ?
C37 P3 C39 C40 46(2) . . . . ?
C41 P3 C39 C40 -61(2) . . . . ?
Pt2 P3 C39 C40 175.7(16) . . . . ?
C37 P3 C41 C42 61.4(19) . . . . ?
C39 P3 C41 C42 171.1(17) . . . . ?
Pt2 P3 C41 C42 -62.0(19) . . . . ?
C47B P4 C43 C44 169(2) . . . . ?
C47A P4 C43 C44 158(3) . . . . ?
C45 P4 C43 C44 58(2) . . . . ?
Pt2 P4 C43 C44 -68(2) . . . . ?
C43 P4 C45 C46 56(2) . . . . ?
C47B P4 C45 C46 -53(3) . . . . ?
C47A P4 C45 C46 -63(5) . . . . ?
Pt2 P4 C45 C46 -177.2(15) . . . . ?
C43 P4 C47A C48A 100(11) . . . . ?
C45 P4 C47A C48A -156(11) . . . . ?
Pt2 P4 C47A C48A -38(12) . . . . ?
C43 P4 C47B C48B 73(3) . . . . ?
C45 P4 C47B C48B 179(3) . . . . ?
Pt2 P4 C47B C48B -54(3) . . . . ?
P4 Pt2 C49 C50 147(24) . . . . ?
P3 Pt2 C49 C50 -31(24) . . . . ?
I2 Pt2 C49 C50 -142(19) . . . . ?
Pt2 C49 C50 C10 -24(34) . . . . ?
C11 C10 C50 C49 142(12) . . . . ?
C9 C10 C50 C49 -30(13) . . . . ?
