#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:08:49 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179777 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/73/7007388.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_7007388
loop_
_publ_author_name
'de Quadras, Laura'
'Hampel, Frank'
'Gladysz, J. A.'
_publ_section_title
;
 Wire-like PtC[triple bond]CC[triple bond]CC[triple bond]CC[triple
 bond]CPt moieties surrounded by double-helical "insulation": new
 motifs featuring P(CH2)20P and P(CH2)4O(CH2)2O(CH2)4P linkages.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2929
_journal_page_last               2933
_journal_paper_doi               10.1039/b604465b
_journal_year                    2006
_chemical_formula_sum            'C97 H100 F10 O5 P4 Pt2'
_chemical_formula_weight         2049.83
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.8550(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.4114(3)
_cell_length_b                   17.9695(3)
_cell_length_c                   24.2342(3)
_cell_measurement_reflns_used    20654
_cell_measurement_temperature    173(2)
_cell_volume                     9125.3(2)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'Nonius Collect'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'SHELXTL NT'
_computing_publication_material  'SHELXTL NT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_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'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0497
_diffrn_reflns_av_sigmaI/netI    0.0793
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            39762
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.06
_exptl_absorpt_coefficient_mu    3.204
_exptl_absorpt_correction_T_max  0.6450
_exptl_absorpt_correction_T_min  0.6450
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   Sclaepack
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.492
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4112
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.123
_refine_diff_density_min         -0.956
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.966
_refine_ls_hydrogen_treatment    'riding model'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1063
_refine_ls_number_reflns         20905
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.966
_refine_ls_R_factor_all          0.0886
_refine_ls_R_factor_gt           0.0421
_refine_ls_shift/su_max          0.049
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0452P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0848
_refine_ls_wR_factor_ref         0.0979
_reflns_number_gt                13238
_reflns_number_total             20905
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b604465b.txt
_cod_data_source_block           ldq11
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7007388
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 0.825272(9) -0.696013(10) 0.086614(8) 0.04048(6) Uani 1 1 d . . .
P1 P 0.80388(7) -0.66493(8) 0.17285(6) 0.0492(3) Uani 1 1 d . . .
C1 C 0.8171(2) -0.5902(3) 0.0643(2) 0.0469(12) Uani 1 1 d . . .
C1B C 0.7887(2) -0.6802(3) -0.0562(2) 0.0482(13) Uani 1 1 d . . .
H1BA H 0.7944 -0.6255 -0.0558 0.058 Uiso 1 1 calc R . .
H1BB H 0.7967 -0.6986 -0.0926 0.058 Uiso 1 1 calc R . .
C1A C 0.8499(3) -0.5820(3) 0.2009(3) 0.0620(16) Uani 1 1 d . . .
H1AA H 0.8958 -0.5946 0.2069 0.074 Uiso 1 1 calc R . .
H1AB H 0.8416 -0.5427 0.1716 0.074 Uiso 1 1 calc R . .
Pt2 Pt 0.666536(8) -0.074853(10) -0.156031(8) 0.03493(6) Uani 1 1 d . . .
P2 P 0.84935(6) -0.71954(7) 0.00018(5) 0.0401(3) Uani 1 1 d . . .
C2 C 0.8080(3) -0.5267(3) 0.0472(2) 0.0484(13) Uani 1 1 d . . .
C2B C 0.7195(3) -0.6967(3) -0.0542(3) 0.0647(16) Uani 1 1 d . . .
H2BA H 0.7130 -0.6883 -0.0154 0.078 Uiso 1 1 calc R . .
H2BB H 0.7103 -0.7497 -0.0637 0.078 Uiso 1 1 calc R . .
C2A C 0.8372(3) -0.5498(3) 0.2549(2) 0.0730(18) Uani 1 1 d . . .
H2AA H 0.8382 -0.5900 0.2830 0.088 Uiso 1 1 calc R . .
H2AB H 0.7942 -0.5269 0.2478 0.088 Uiso 1 1 calc R . .
P3 P 0.60949(6) -0.05652(7) -0.08572(5) 0.0365(3) Uani 1 1 d . . .
C3 C 0.7930(3) -0.4575(3) 0.0249(2) 0.0479(13) Uani 1 1 d . . .
C3A C 0.8879(4) -0.4905(4) 0.2784(3) 0.100(3) Uani 1 1 d . . .
H3AA H 0.8754 -0.4662 0.3111 0.120 Uiso 1 1 calc R . .
H3AB H 0.9290 -0.5162 0.2924 0.120 Uiso 1 1 calc R . .
C3B C 0.6722(3) -0.6476(4) -0.0955(3) 0.080(2) Uani 1 1 d . . .
H3BA H 0.6844 -0.6473 -0.1327 0.096 Uiso 1 1 calc R . .
H3BB H 0.6287 -0.6690 -0.1005 0.096 Uiso 1 1 calc R . .
P4 P 0.71641(6) -0.11145(8) -0.22682(5) 0.0438(3) Uani 1 1 d . . .
C4 C 0.7789(3) -0.3977(3) 0.0032(2) 0.0500(13) Uani 1 1 d . . .
C4A C 0.8986(3) -0.4314(4) 0.2381(3) 0.086(2) Uani 1 1 d . . .
H4AA H 0.9327 -0.3971 0.2566 0.104 Uiso 1 1 calc R . .
H4AB H 0.9118 -0.4541 0.2050 0.104 Uiso 1 1 calc R . .
C4B C 0.6717(4) -0.5702(4) -0.0743(3) 0.099(3) Uani 1 1 d . . .
H4BA H 0.6605 -0.5698 -0.0366 0.118 Uiso 1 1 calc R . .
H4BB H 0.7143 -0.5472 -0.0711 0.118 Uiso 1 1 calc R . .
C5 C 0.7614(3) -0.3338(3) -0.0246(2) 0.0508(13) Uani 1 1 d . . .
O5A O 0.8401(2) -0.3916(3) 0.2205(2) 0.0908(14) Uani 1 1 d . . .
O5B O 0.6250(2) -0.5300(3) -0.1139(2) 0.0960(16) Uani 1 1 d . . .
C6 C 0.7444(2) -0.2790(3) -0.0541(2) 0.0470(13) Uani 1 1 d . . .
C6B C 0.6210(4) -0.4519(4) -0.1021(4) 0.114(3) Uani 1 1 d . . .
H6BA H 0.5975 -0.4256 -0.1360 0.136 Uiso 1 1 calc R . .
H6BB H 0.6644 -0.4303 -0.0917 0.136 Uiso 1 1 calc R . .
C6A C 0.8339(4) -0.3490(6) 0.1688(4) 0.115(3) Uani 1 1 d . . .
H6AA H 0.7893 -0.3312 0.1574 0.138 Uiso 1 1 calc R . .
H6AB H 0.8424 -0.3822 0.1386 0.138 Uiso 1 1 calc R . .
C7 C 0.7243(2) -0.2180(3) -0.0867(2) 0.0466(12) Uani 1 1 d . . .
C7A C 0.8765(4) -0.2856(5) 0.1735(4) 0.116(3) Uani 1 1 d . . .
H7AA H 0.9213 -0.3027 0.1838 0.139 Uiso 1 1 calc R . .
H7AB H 0.8684 -0.2518 0.2035 0.139 Uiso 1 1 calc R . .
C7B C 0.5841(5) -0.4423(5) -0.0504(4) 0.130(4) Uani 1 1 d . . .
H7BA H 0.5458 -0.4746 -0.0565 0.156 Uiso 1 1 calc R . .
H7BB H 0.6125 -0.4569 -0.0144 0.156 Uiso 1 1 calc R . .
C8 C 0.7050(2) -0.1636(3) -0.1140(2) 0.0429(12) Uani 1 1 d . . .
C8B C 0.5651(4) -0.3632(4) -0.0479(4) 0.111(3) Uani 1 1 d . . .
H8BA H 0.5368 -0.3492 -0.0840 0.134 Uiso 1 1 calc R . .
H8BB H 0.6036 -0.3314 -0.0428 0.134 Uiso 1 1 calc R . .
C8A C 0.8652(4) -0.2424(6) 0.1150(5) 0.158(5) Uani 1 1 d . . .
H8AA H 0.8600 -0.2798 0.0845 0.190 Uiso 1 1 calc R . .
H8AB H 0.8243 -0.2151 0.1106 0.190 Uiso 1 1 calc R . .
C9B C 0.5304(4) -0.3484(5) 0.0005(4) 0.105(3) Uani 1 1 d . . .
H9BA H 0.5175 -0.2954 -0.0007 0.126 Uiso 1 1 calc R . .
H9BB H 0.4911 -0.3789 -0.0056 0.126 Uiso 1 1 calc R . .
C9A C 0.9095(6) -0.1946(7) 0.1071(4) 0.154(5) Uani 1 1 d . . .
H9AA H 0.9502 -0.2219 0.1101 0.185 Uiso 1 1 calc R . .
H9AB H 0.9156 -0.1576 0.1380 0.185 Uiso 1 1 calc R . .
C10B C 0.5690(4) -0.3651(5) 0.0571(4) 0.103(3) Uani 1 1 d . . .
H10A H 0.5802 -0.4187 0.0592 0.124 Uiso 1 1 calc R . .
H10B H 0.5431 -0.3552 0.0858 0.124 Uiso 1 1 calc R . .
C10A C 0.8957(5) -0.1534(5) 0.0516(3) 0.121(3) Uani 1 1 d . . .
H10C H 0.9245 -0.1098 0.0545 0.145 Uiso 1 1 calc R . .
H10D H 0.8514 -0.1345 0.0449 0.145 Uiso 1 1 calc R . .
C11 C 0.8281(2) -0.8076(3) 0.1056(2) 0.0412(11) Uani 1 1 d . . .
C11A C 0.9038(3) -0.1996(4) 0.0012(3) 0.0770(19) Uani 1 1 d . . .
H11A H 0.9443 -0.2279 0.0102 0.092 Uiso 1 1 calc R . .
H11B H 0.8681 -0.2355 -0.0087 0.092 Uiso 1 1 calc R . .
C11B C 0.6292(4) -0.3199(4) 0.0709(3) 0.088(2) Uani 1 1 d . . .
H11C H 0.6542 -0.3346 0.1084 0.105 Uiso 1 1 calc R . .
H11D H 0.6556 -0.3295 0.0426 0.105 Uiso 1 1 calc R . .
C12 C 0.8822(3) -0.8488(3) 0.1230(3) 0.0592(15) Uani 1 1 d . . .
F12 F 0.94012(15) -0.8151(2) 0.1289(2) 0.0961(14) Uani 1 1 d . . .
O12A O 0.90420(19) -0.1498(2) -0.04492(18) 0.0671(11) Uani 1 1 d . . .
O12B O 0.6136(2) -0.2422(2) 0.07112(19) 0.0722(12) Uani 1 1 d . . .
F13 F 0.93742(19) -0.9628(2) 0.1464(3) 0.134(2) Uani 1 1 d . . .
C13 C 0.8822(3) -0.9246(3) 0.1325(3) 0.0747(19) Uani 1 1 d . . .
C13A C 0.9099(3) -0.1860(3) -0.0958(3) 0.0611(15) Uani 1 1 d . . .
H13A H 0.8745 -0.2217 -0.1072 0.073 Uiso 1 1 calc R . .
H13B H 0.9507 -0.2137 -0.0901 0.073 Uiso 1 1 calc R . .
C13B C 0.6698(3) -0.1990(3) 0.0859(3) 0.0607(16) Uani 1 1 d . . .
H13C H 0.6973 -0.2066 0.0581 0.073 Uiso 1 1 calc R . .
H13D H 0.6942 -0.2138 0.1235 0.073 Uiso 1 1 calc R . .
C14 C 0.8257(3) -0.9612(3) 0.1265(3) 0.0634(16) Uani 1 1 d . . .
F14 F 0.8246(2) -1.03484(19) 0.13698(19) 0.1010(14) Uani 1 1 d . . .
C14B C 0.6503(3) -0.1185(3) 0.0864(2) 0.0548(14) Uani 1 1 d . . .
H14A H 0.6893 -0.0879 0.0974 0.066 Uiso 1 1 calc R . .
H14B H 0.6248 -0.1120 0.1159 0.066 Uiso 1 1 calc R . .
C14A C 0.9080(2) -0.1283(3) -0.1406(3) 0.0604(16) Uani 1 1 d . . .
H14C H 0.9224 -0.1514 -0.1730 0.072 Uiso 1 1 calc R . .
H14D H 0.9388 -0.0884 -0.1256 0.072 Uiso 1 1 calc R . .
C15 C 0.7704(3) -0.9227(3) 0.1105(3) 0.0569(15) Uani 1 1 d . . .
F15 F 0.71382(18) -0.9584(2) 0.1037(2) 0.0982(13) Uani 1 1 d . . .
C15B C 0.6115(3) -0.0887(3) 0.0305(2) 0.0499(13) Uani 1 1 d . . .
H15A H 0.5732 -0.1202 0.0184 0.060 Uiso 1 1 calc R . .
H15B H 0.5970 -0.0375 0.0364 0.060 Uiso 1 1 calc R . .
C15A C 0.8420(2) -0.0928(3) -0.1620(2) 0.0586(15) Uani 1 1 d . . .
H15C H 0.8216 -0.0830 -0.1296 0.070 Uiso 1 1 calc R . .
H15D H 0.8474 -0.0445 -0.1802 0.070 Uiso 1 1 calc R . .
F16 F 0.71580(15) -0.81282(18) 0.08358(19) 0.0837(12) Uani 1 1 d . . .
C16 C 0.7728(2) -0.8486(3) 0.0997(2) 0.0469(12) Uani 1 1 d . . .
C16B C 0.6500(2) -0.0876(3) -0.01586(19) 0.0433(12) Uani 1 1 d . . .
H16A H 0.6661 -0.1386 -0.0196 0.052 Uiso 1 1 calc R . .
H16B H 0.6876 -0.0552 -0.0032 0.052 Uiso 1 1 calc R . .
C16A C 0.7992(2) -0.1419(3) -0.2035(2) 0.0536(14) Uani 1 1 d . . .
H16C H 0.7989 -0.1920 -0.1866 0.064 Uiso 1 1 calc R . .
H16D H 0.8183 -0.1470 -0.2373 0.064 Uiso 1 1 calc R . .
C21 C 0.8263(3) -0.7373(3) 0.2249(2) 0.0604(15) Uani 1 1 d . . .
C22 C 0.7826(3) -0.7934(3) 0.2317(3) 0.0686(17) Uani 1 1 d . . .
H22A H 0.7386 -0.7881 0.2150 0.082 Uiso 1 1 calc R . .
C23 C 0.8042(4) -0.8573(4) 0.2634(3) 0.088(2) Uani 1 1 d . . .
H23A H 0.7751 -0.8952 0.2686 0.105 Uiso 1 1 calc R . .
C24 C 0.8682(5) -0.8640(4) 0.2866(3) 0.102(3) Uani 1 1 d . . .
H24A H 0.8838 -0.9083 0.3060 0.122 Uiso 1 1 calc R . .
C25 C 0.9101(5) -0.8065(5) 0.2820(4) 0.123(3) Uani 1 1 d . . .
H25A H 0.9533 -0.8097 0.3015 0.148 Uiso 1 1 calc R . .
C26 C 0.8895(4) -0.7448(4) 0.2493(3) 0.092(2) Uani 1 1 d . . .
H26A H 0.9191 -0.7076 0.2438 0.110 Uiso 1 1 calc R . .
C31 C 0.7211(3) -0.6393(3) 0.1713(3) 0.0573(15) Uani 1 1 d . . .
C32 C 0.6974(3) -0.6340(4) 0.2212(3) 0.081(2) Uani 1 1 d . . .
H32A H 0.7226 -0.6503 0.2560 0.097 Uiso 1 1 calc R . .
C33 C 0.6359(4) -0.6045(5) 0.2190(4) 0.098(3) Uani 1 1 d . . .
H33A H 0.6206 -0.6000 0.2530 0.118 Uiso 1 1 calc R . .
C34 C 0.5980(4) -0.5822(4) 0.1699(4) 0.098(3) Uani 1 1 d . . .
H34A H 0.5566 -0.5630 0.1693 0.118 Uiso 1 1 calc R . .
C35 C 0.6213(4) -0.5882(4) 0.1202(4) 0.094(2) Uani 1 1 d . . .
H35A H 0.5954 -0.5733 0.0853 0.113 Uiso 1 1 calc R . .
C36 C 0.6826(3) -0.6160(4) 0.1217(3) 0.0692(17) Uani 1 1 d . . .
H36A H 0.6980 -0.6190 0.0877 0.083 Uiso 1 1 calc R . .
C41 C 0.9225(2) -0.6731(3) -0.0100(2) 0.0459(12) Uani 1 1 d . . .
C42 C 0.9618(3) -0.6398(3) 0.0357(3) 0.0622(16) Uani 1 1 d . . .
H42A H 0.9518 -0.6421 0.0720 0.075 Uiso 1 1 calc R . .
C43 C 1.0158(3) -0.6030(4) 0.0277(4) 0.090(2) Uani 1 1 d . . .
H43A H 1.0440 -0.5816 0.0591 0.108 Uiso 1 1 calc R . .
C44 C 1.0291(4) -0.5970(4) -0.0245(5) 0.097(3) Uani 1 1 d . . .
H44A H 1.0656 -0.5697 -0.0295 0.117 Uiso 1 1 calc R . .
C45 C 0.9908(3) -0.6298(4) -0.0700(4) 0.087(2) Uani 1 1 d . . .
H45A H 1.0006 -0.6256 -0.1064 0.104 Uiso 1 1 calc R . .
C46 C 0.9370(3) -0.6697(3) -0.0628(3) 0.0600(15) Uani 1 1 d . . .
H46A H 0.9107 -0.6941 -0.0938 0.072 Uiso 1 1 calc R . .
C51 C 0.8602(2) -0.8164(3) -0.0165(2) 0.0439(12) Uani 1 1 d . . .
C52 C 0.8092(3) -0.8637(3) -0.0342(2) 0.0554(14) Uani 1 1 d . . .
H52A H 0.7669 -0.8447 -0.0407 0.066 Uiso 1 1 calc R . .
C53 C 0.8192(3) -0.9391(3) -0.0425(3) 0.0628(16) Uani 1 1 d . . .
H53A H 0.7838 -0.9712 -0.0544 0.075 Uiso 1 1 calc R . .
C54 C 0.8792(3) -0.9668(3) -0.0338(3) 0.0717(18) Uani 1 1 d . . .
H54A H 0.8858 -1.0182 -0.0399 0.086 Uiso 1 1 calc R . .
C55 C 0.9304(3) -0.9209(3) -0.0163(3) 0.087(2) Uani 1 1 d . . .
H55A H 0.9725 -0.9406 -0.0096 0.104 Uiso 1 1 calc R . .
C56 C 0.9210(3) -0.8469(3) -0.0084(3) 0.0705(18) Uani 1 1 d . . .
H56A H 0.9570 -0.8154 0.0030 0.085 Uiso 1 1 calc R . .
C61 C 0.6260(2) 0.0177(3) -0.20018(19) 0.0379(11) Uani 1 1 d . . .
F62 F 0.69242(16) 0.10151(17) -0.13981(14) 0.0648(9) Uani 1 1 d . . .
C62 C 0.6455(2) 0.0896(3) -0.1858(2) 0.0454(12) Uani 1 1 d . . .
F63 F 0.64042(19) 0.22092(18) -0.19663(19) 0.0933(13) Uani 1 1 d . . .
C63 C 0.6209(3) 0.1529(3) -0.2134(3) 0.0632(16) Uani 1 1 d . . .
C64 C 0.5734(3) 0.1444(4) -0.2614(3) 0.077(2) Uani 1 1 d . . .
F64 F 0.5473(2) 0.2044(2) -0.2913(2) 0.1229(18) Uani 1 1 d . . .
C65 C 0.5523(3) 0.0737(4) -0.2792(3) 0.0717(19) Uani 1 1 d . . .
F65 F 0.50612(19) 0.0651(3) -0.32560(18) 0.1079(15) Uani 1 1 d . . .
F66 F 0.55518(15) -0.05382(19) -0.26706(14) 0.0681(9) Uani 1 1 d . . .
C66 C 0.5789(3) 0.0143(3) -0.2472(2) 0.0529(14) Uani 1 1 d . . .
C71 C 0.5373(2) -0.1124(3) -0.1023(2) 0.0403(11) Uani 1 1 d . . .
C72 C 0.4819(2) -0.0944(3) -0.0840(2) 0.0518(14) Uani 1 1 d . . .
H72A H 0.4812 -0.0513 -0.0615 0.062 Uiso 1 1 calc R . .
C73 C 0.4281(3) -0.1375(4) -0.0979(3) 0.0607(16) Uani 1 1 d . . .
H73A H 0.3906 -0.1233 -0.0852 0.073 Uiso 1 1 calc R . .
C74 C 0.4274(3) -0.2009(4) -0.1299(3) 0.0647(17) Uani 1 1 d . . .
H74A H 0.3898 -0.2302 -0.1401 0.078 Uiso 1 1 calc R . .
C75 C 0.4833(3) -0.2209(3) -0.1467(3) 0.0678(17) Uani 1 1 d . . .
H75A H 0.4842 -0.2654 -0.1677 0.081 Uiso 1 1 calc R . .
C76 C 0.5375(3) -0.1775(3) -0.1337(2) 0.0570(15) Uani 1 1 d . . .
H76A H 0.5751 -0.1919 -0.1461 0.068 Uiso 1 1 calc R . .
C81 C 0.5833(2) 0.0386(3) -0.0776(2) 0.0440(12) Uani 1 1 d . . .
C82 C 0.6176(3) 0.0861(3) -0.0375(2) 0.0521(14) Uani 1 1 d . . .
H82A H 0.6531 0.0677 -0.0109 0.062 Uiso 1 1 calc R . .
C83 C 0.6005(4) 0.1598(3) -0.0362(3) 0.0698(18) Uani 1 1 d . . .
H83A H 0.6246 0.1920 -0.0088 0.084 Uiso 1 1 calc R . .
C84 C 0.5500(4) 0.1868(3) -0.0730(3) 0.076(2) Uani 1 1 d . . .
H84A H 0.5387 0.2377 -0.0712 0.091 Uiso 1 1 calc R . .
C85 C 0.5146(3) 0.1415(4) -0.1134(3) 0.0707(19) Uani 1 1 d . . .
H85A H 0.4789 0.1607 -0.1394 0.085 Uiso 1 1 calc R . .
C86 C 0.5320(3) 0.0668(3) -0.1157(3) 0.0577(15) Uani 1 1 d . . .
H86A H 0.5082 0.0352 -0.1437 0.069 Uiso 1 1 calc R . .
C91 C 0.7132(2) -0.0421(3) -0.2825(2) 0.0478(13) Uani 1 1 d . . .
C92 C 0.6750(3) -0.0530(3) -0.3350(2) 0.0552(14) Uani 1 1 d . . .
H92A H 0.6539 -0.0993 -0.3439 0.066 Uiso 1 1 calc R . .
C93 C 0.6669(3) 0.0036(3) -0.3753(3) 0.0703(18) Uani 1 1 d . . .
H93A H 0.6402 -0.0039 -0.4113 0.084 Uiso 1 1 calc R . .
C94 C 0.6979(4) 0.0705(4) -0.3624(3) 0.089(2) Uani 1 1 d . . .
H94A H 0.6926 0.1095 -0.3895 0.107 Uiso 1 1 calc R . .
C95 C 0.7364(4) 0.0804(4) -0.3102(3) 0.084(2) Uani 1 1 d . . .
H95A H 0.7579 0.1265 -0.3015 0.101 Uiso 1 1 calc R . .
C96 C 0.7447(3) 0.0246(3) -0.2702(3) 0.0669(17) Uani 1 1 d . . .
H96A H 0.7718 0.0322 -0.2343 0.080 Uiso 1 1 calc R . .
C101 C 0.6788(3) -0.1951(3) -0.2619(2) 0.0492(13) Uani 1 1 d . . .
C102 C 0.7102(3) -0.2425(3) -0.2927(2) 0.0612(16) Uani 1 1 d . . .
H10E H 0.7527 -0.2317 -0.2960 0.073 Uiso 1 1 calc R . .
C103 C 0.6800(4) -0.3051(3) -0.3186(3) 0.0708(18) Uani 1 1 d . . .
H10F H 0.7027 -0.3371 -0.3387 0.085 Uiso 1 1 calc R . .
C104 C 0.6192(4) -0.3221(4) -0.3161(3) 0.0784(19) Uani 1 1 d . . .
H10G H 0.5990 -0.3649 -0.3349 0.094 Uiso 1 1 calc R . .
C105 C 0.5873(3) -0.2769(4) -0.2861(3) 0.084(2) Uani 1 1 d . . .
H10H H 0.5447 -0.2885 -0.2837 0.100 Uiso 1 1 calc R . .
C106 C 0.6172(3) -0.2128(3) -0.2586(3) 0.0659(17) Uani 1 1 d . . .
H10I H 0.5946 -0.1818 -0.2378 0.079 Uiso 1 1 calc R . .
O200 O 0.5193(4) -0.5591(7) -0.1872(6) 0.281(7) Uani 1 1 d . . .
H20D H 0.5444 -0.5510 -0.1558 0.422 Uiso 1 1 d R . .
C200 C 0.5581(10) -0.5463(15) -0.2352(6) 0.43(2) Uani 1 1 d . . .
H20A H 0.5302 -0.5314 -0.2697 0.643 Uiso 1 1 d R . .
H20B H 0.5923 -0.5111 -0.2257 0.643 Uiso 1 1 d R . .
H20C H 0.5752 -0.5947 -0.2399 0.643 Uiso 1 1 d R . .
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
_geom_angle_publ_flag
C1 Pt1 C11 176.0(2) . . ?
C1 Pt1 P2 87.21(15) . . ?
C11 Pt1 P2 91.30(14) . . ?
C1 Pt1 P1 89.55(15) . . ?
C11 Pt1 P1 92.05(14) . . ?
P2 Pt1 P1 176.31(5) . . ?
C1 Pt1 Pt2 14.16(15) . . ?
C11 Pt1 Pt2 161.86(13) . . ?
P2 Pt1 Pt2 80.16(3) . . ?
P1 Pt1 Pt2 97.04(4) . . ?
C21 P1 C31 108.3(3) . . ?
C21 P1 C1A 106.3(3) . . ?
C31 P1 C1A 104.3(3) . . ?
C21 P1 Pt1 112.7(2) . . ?
C31 P1 Pt1 114.7(2) . . ?
C1A P1 Pt1 110.0(2) . . ?
C2 C1 Pt1 174.7(5) . . ?
C2B C1B P2 116.6(4) . . ?
C2A C1A P1 117.0(4) . . ?
C8 Pt2 C61 179.8(2) . . ?
C8 Pt2 P4 86.90(13) . . ?
C61 Pt2 P4 93.07(13) . . ?
C8 Pt2 P3 87.83(13) . . ?
C61 Pt2 P3 92.17(12) . . ?
P4 Pt2 P3 171.02(5) . . ?
C8 Pt2 Pt1 9.40(14) . . ?
C61 Pt2 Pt1 170.39(13) . . ?
P4 Pt2 Pt1 88.46(3) . . ?
P3 Pt2 Pt1 85.19(3) . . ?
C51 P2 C1B 108.0(2) . . ?
C51 P2 C41 104.8(2) . . ?
C1B P2 C41 102.6(2) . . ?
C51 P2 Pt1 116.29(16) . . ?
C1B P2 Pt1 110.71(17) . . ?
C41 P2 Pt1 113.38(18) . . ?
C1 C2 C3 175.1(6) . . ?
C1B C2B C3B 112.4(5) . . ?
C1A C2A C3A 110.2(6) . . ?
C71 P3 C81 106.0(2) . . ?
C71 P3 C16B 104.8(2) . . ?
C81 P3 C16B 106.6(2) . . ?
C71 P3 Pt2 108.18(16) . . ?
C81 P3 Pt2 115.66(15) . . ?
C16B P3 Pt2 114.69(16) . . ?
C4 C3 C2 177.4(6) . . ?
C4A C3A C2A 116.2(6) . . ?
C4B C3B C2B 111.2(6) . . ?
C91 P4 C101 105.7(2) . . ?
C91 P4 C16A 108.5(2) . . ?
C101 P4 C16A 101.7(2) . . ?
C91 P4 Pt2 113.83(17) . . ?
C101 P4 Pt2 110.80(17) . . ?
C16A P4 Pt2 115.17(18) . . ?
C3 C4 C5 175.8(6) . . ?
O5A C4A C3A 108.0(6) . . ?
O5B C4B C3B 107.1(6) . . ?
C6 C5 C4 174.4(6) . . ?
C4A O5A C6A 116.2(6) . . ?
C4B O5B C6B 114.9(6) . . ?
C5 C6 C7 178.9(6) . . ?
O5B C6B C7B 108.4(7) . . ?
O5A C6A C7A 113.7(7) . . ?
C8 C7 C6 177.3(6) . . ?
C6A C7A C8A 109.7(8) . . ?
C8B C7B C6B 108.4(8) . . ?
C7 C8 Pt2 175.1(4) . . ?
C7B C8B C9B 112.2(8) . . ?
C9A C8A C7A 117.7(9) . . ?
C10B C9B C8B 114.0(7) . . ?
C8A C9A C10A 115.7(11) . . ?
C9B C10B C11B 112.7(7) . . ?
C9A C10A C11A 114.5(8) . . ?
C12 C11 C16 113.6(5) . . ?
C12 C11 Pt1 125.6(4) . . ?
C16 C11 Pt1 120.8(4) . . ?
O12A C11A C10A 107.8(5) . . ?
O12B C11B C10B 109.6(6) . . ?
F12 C12 C11 119.2(5) . . ?
F12 C12 C13 116.9(5) . . ?
C11 C12 C13 123.8(5) . . ?
C13A O12A C11A 114.0(5) . . ?
C13B O12B C11B 110.3(5) . . ?
F13 C13 C14 119.7(6) . . ?
F13 C13 C12 120.9(6) . . ?
C14 C13 C12 119.4(5) . . ?
O12A C13A C14A 108.6(5) . . ?
O12B C13B C14B 107.8(5) . . ?
F14 C14 C15 120.4(5) . . ?
F14 C14 C13 120.3(5) . . ?
C15 C14 C13 119.2(5) . . ?
C13B C14B C15B 115.4(5) . . ?
C13A C14A C15A 114.7(5) . . ?
F15 C15 C14 120.1(5) . . ?
F15 C15 C16 120.6(5) . . ?
C14 C15 C16 119.3(5) . . ?
C16B C15B C14B 112.3(4) . . ?
C16A C15A C14A 112.0(5) . . ?
C15 C16 F16 116.7(5) . . ?
C15 C16 C11 124.6(5) . . ?
F16 C16 C11 118.6(4) . . ?
C15B C16B P3 117.6(4) . . ?
C15A C16A P4 116.7(4) . . ?
C26 C21 C22 120.1(6) . . ?
C26 C21 P1 118.0(5) . . ?
C22 C21 P1 120.6(5) . . ?
C23 C22 C21 119.8(7) . . ?
C24 C23 C22 118.9(7) . . ?
C23 C24 C25 120.6(7) . . ?
C26 C25 C24 120.5(8) . . ?
C21 C26 C25 119.9(7) . . ?
C36 C31 C32 118.3(6) . . ?
C36 C31 P1 119.9(5) . . ?
C32 C31 P1 121.3(5) . . ?
C31 C32 C33 119.5(7) . . ?
C34 C33 C32 122.0(8) . . ?
C33 C34 C35 118.6(8) . . ?
C36 C35 C34 120.3(8) . . ?
C31 C36 C35 121.4(7) . . ?
C46 C41 C42 120.5(5) . . ?
C46 C41 P2 120.4(4) . . ?
C42 C41 P2 119.0(4) . . ?
C43 C42 C41 119.1(6) . . ?
C44 C43 C42 120.7(8) . . ?
C43 C44 C45 120.8(7) . . ?
C44 C45 C46 119.5(7) . . ?
C41 C46 C45 119.3(6) . . ?
C52 C51 C56 117.4(5) . . ?
C52 C51 P2 122.1(4) . . ?
C56 C51 P2 120.4(4) . . ?
C51 C52 C53 120.6(5) . . ?
C54 C53 C52 120.3(6) . . ?
C53 C54 C55 120.1(6) . . ?
C56 C55 C54 120.0(6) . . ?
C55 C56 C51 121.6(6) . . ?
C66 C61 C62 112.7(5) . . ?
C66 C61 Pt2 123.9(4) . . ?
C62 C61 Pt2 123.3(4) . . ?
F62 C62 C63 114.7(5) . . ?
F62 C62 C61 119.3(4) . . ?
C63 C62 C61 126.0(6) . . ?
F63 C63 C62 123.3(6) . . ?
F63 C63 C64 119.3(6) . . ?
C62 C63 C64 117.5(6) . . ?
F64 C64 C63 120.8(7) . . ?
F64 C64 C65 119.3(7) . . ?
C63 C64 C65 119.8(6) . . ?
F65 C65 C66 122.2(7) . . ?
F65 C65 C64 120.1(6) . . ?
C66 C65 C64 117.7(6) . . ?
C61 C66 C65 126.2(6) . . ?
C61 C66 F66 119.3(5) . . ?
C65 C66 F66 114.5(5) . . ?
C72 C71 C76 118.0(5) . . ?
C72 C71 P3 123.0(4) . . ?
C76 C71 P3 119.0(4) . . ?
C73 C72 C71 121.3(6) . . ?
C72 C73 C74 121.1(5) . . ?
C73 C74 C75 118.0(5) . . ?
C76 C75 C74 121.5(6) . . ?
C75 C76 C71 120.0(5) . . ?
C86 C81 C82 118.6(5) . . ?
C86 C81 P3 119.6(4) . . ?
C82 C81 P3 121.5(4) . . ?
C83 C82 C81 120.2(6) . . ?
C84 C83 C82 120.9(6) . . ?
C83 C84 C85 120.7(6) . . ?
C84 C85 C86 119.0(6) . . ?
C81 C86 C85 120.6(6) . . ?
C96 C91 C92 119.7(5) . . ?
C96 C91 P4 119.4(4) . . ?
C92 C91 P4 120.7(4) . . ?
C91 C92 C93 120.5(6) . . ?
C94 C93 C92 119.5(6) . . ?
C95 C94 C93 119.5(6) . . ?
C94 C95 C96 121.3(7) . . ?
C91 C96 C95 119.5(6) . . ?
C106 C101 C102 117.6(5) . . ?
C106 C101 P4 119.9(4) . . ?
C102 C101 P4 122.5(5) . . ?
C103 C102 C101 120.6(6) . . ?
C104 C103 C102 122.0(6) . . ?
C103 C104 C105 118.8(6) . . ?
C104 C105 C106 120.5(7) . . ?
C101 C106 C105 120.5(6) . . ?
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 C1 1.975(5) . ?
Pt1 C11 2.056(5) . ?
Pt1 P2 2.2969(13) . ?
Pt1 P1 2.2984(14) . ?
Pt1 Pt2 12.7478(3) . ?
P1 C21 1.808(6) . ?
P1 C31 1.824(6) . ?
P1 C1A 1.838(6) . ?
C1 C2 1.216(7) . ?
C1B C2B 1.523(7) . ?
C1B P2 1.823(5) . ?
C1A C2A 1.506(8) . ?
Pt2 C8 1.979(5) . ?
Pt2 C61 2.069(5) . ?
Pt2 P4 2.2954(13) . ?
Pt2 P3 2.3149(12) . ?
P2 C51 1.812(5) . ?
P2 C41 1.835(5) . ?
C2 C3 1.367(7) . ?
C2B C3B 1.546(8) . ?
C2A C3A 1.544(9) . ?
P3 C71 1.819(5) . ?
P3 C81 1.822(5) . ?
P3 C16B 1.824(5) . ?
C3 C4 1.207(7) . ?
C3A C4A 1.492(10) . ?
C3B C4B 1.484(9) . ?
P4 C91 1.828(5) . ?
P4 C101 1.830(6) . ?
P4 C16A 1.831(5) . ?
C4 C5 1.346(7) . ?
C4A O5A 1.429(8) . ?
C4B O5B 1.431(7) . ?
C5 C6 1.227(7) . ?
O5A C6A 1.451(9) . ?
O5B C6B 1.438(8) . ?
C6 C7 1.368(7) . ?
C6B C7B 1.624(12) . ?
C6A C7A 1.449(11) . ?
C7 C8 1.205(7) . ?
C7A C8A 1.591(12) . ?
C7B C8B 1.484(10) . ?
C8B C9B 1.534(11) . ?
C8A C9A 1.320(12) . ?
C9B C10B 1.481(11) . ?
C9A C10A 1.512(11) . ?
C10B C11B 1.502(10) . ?
C10A C11A 1.515(10) . ?
C11 C12 1.366(7) . ?
C11 C16 1.376(7) . ?
C11A O12A 1.434(7) . ?
C11B O12B 1.437(7) . ?
C12 F12 1.360(6) . ?
C12 C13 1.381(8) . ?
O12A C13A 1.421(7) . ?
O12B C13B 1.416(7) . ?
F13 C13 1.349(6) . ?
C13 C14 1.360(8) . ?
C13A C14A 1.495(8) . ?
C13B C14B 1.506(7) . ?
C14 F14 1.348(6) . ?
C14 C15 1.356(8) . ?
C14B C15B 1.533(7) . ?
C14A C15A 1.541(7) . ?
C15 F15 1.351(6) . ?
C15 C16 1.362(7) . ?
C15B C16B 1.524(6) . ?
C15A C16A 1.499(7) . ?
F16 C16 1.363(6) . ?
C21 C26 1.367(9) . ?
C21 C22 1.408(8) . ?
C22 C23 1.404(9) . ?
C23 C24 1.375(10) . ?
C24 C25 1.388(11) . ?
C25 C26 1.382(10) . ?
C31 C36 1.377(8) . ?
C31 C32 1.406(8) . ?
C32 C33 1.411(10) . ?
C33 C34 1.355(11) . ?
C34 C35 1.400(11) . ?
C35 C36 1.398(9) . ?
C41 C46 1.377(7) . ?
C41 C42 1.382(8) . ?
C42 C43 1.380(8) . ?
C43 C44 1.357(11) . ?
C44 C45 1.366(11) . ?
C45 C46 1.398(8) . ?
C51 C52 1.380(7) . ?
C51 C56 1.390(7) . ?
C52 C53 1.393(7) . ?
C53 C54 1.352(8) . ?
C54 C55 1.368(9) . ?
C55 C56 1.365(8) . ?
C61 C66 1.360(7) . ?
C61 C62 1.381(7) . ?
F62 C62 1.355(6) . ?
C62 C63 1.369(7) . ?
F63 C63 1.328(7) . ?
C63 C64 1.387(9) . ?
C64 F64 1.354(7) . ?
C64 C65 1.388(9) . ?
C65 F65 1.344(7) . ?
C65 C66 1.372(8) . ?
F66 C66 1.374(6) . ?
C71 C72 1.386(7) . ?
C71 C76 1.396(7) . ?
C72 C73 1.372(7) . ?
C73 C74 1.377(8) . ?
C74 C75 1.389(8) . ?
C75 C76 1.381(8) . ?
C81 C86 1.378(7) . ?
C81 C82 1.385(7) . ?
C82 C83 1.377(7) . ?
C83 C84 1.344(9) . ?
C84 C85 1.374(9) . ?
C85 C86 1.396(8) . ?
C91 C96 1.377(8) . ?
C91 C92 1.379(7) . ?
C92 C93 1.395(7) . ?
C93 C94 1.378(9) . ?
C94 C95 1.373(10) . ?
C95 C96 1.382(9) . ?
C101 C106 1.375(8) . ?
C101 C102 1.393(7) . ?
C102 C103 1.381(8) . ?
C103 C104 1.351(9) . ?
C104 C105 1.363(9) . ?
C105 C106 1.417(8) . ?
O200 C200 1.580(19) . ?
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
C1 Pt1 P1 C21 -163.2(3) . . . . ?
C11 Pt1 P1 C21 20.5(3) . . . . ?
P2 Pt1 P1 C21 -134.9(8) . . . . ?
Pt2 Pt1 P1 C21 -175.3(2) . . . . ?
C1 Pt1 P1 C31 72.3(3) . . . . ?
C11 Pt1 P1 C31 -104.0(2) . . . . ?
P2 Pt1 P1 C31 100.6(8) . . . . ?
Pt2 Pt1 P1 C31 60.2(2) . . . . ?
C1 Pt1 P1 C1A -44.8(3) . . . . ?
C11 Pt1 P1 C1A 138.8(2) . . . . ?
P2 Pt1 P1 C1A -16.5(8) . . . . ?
Pt2 Pt1 P1 C1A -56.9(2) . . . . ?
C11 Pt1 C1 C2 -4(7) . . . . ?
P2 Pt1 C1 C2 65(5) . . . . ?
P1 Pt1 C1 C2 -117(5) . . . . ?
Pt2 Pt1 C1 C2 5(5) . . . . ?
C21 P1 C1A C2A -63.0(5) . . . . ?
C31 P1 C1A C2A 51.3(5) . . . . ?
Pt1 P1 C1A C2A 174.7(4) . . . . ?
C1 Pt1 Pt2 C8 27.2(10) . . . . ?
C11 Pt1 Pt2 C8 -154.8(9) . . . . ?
P2 Pt1 Pt2 C8 -91.9(8) . . . . ?
P1 Pt1 Pt2 C8 85.7(8) . . . . ?
C1 Pt1 Pt2 C61 -153.2(10) . . . . ?
C11 Pt1 Pt2 C61 24.9(9) . . . . ?
P2 Pt1 Pt2 C61 87.8(8) . . . . ?
P1 Pt1 Pt2 C61 -94.7(8) . . . . ?
C1 Pt1 Pt2 P4 107.5(6) . . . . ?
C11 Pt1 Pt2 P4 -74.4(4) . . . . ?
P2 Pt1 Pt2 P4 -11.55(5) . . . . ?
P1 Pt1 Pt2 P4 166.03(5) . . . . ?
C1 Pt1 Pt2 P3 -78.8(6) . . . . ?
C11 Pt1 Pt2 P3 99.2(4) . . . . ?
P2 Pt1 Pt2 P3 162.11(5) . . . . ?
P1 Pt1 Pt2 P3 -20.32(5) . . . . ?
C2B C1B P2 C51 79.9(5) . . . . ?
C2B C1B P2 C41 -169.8(4) . . . . ?
C2B C1B P2 Pt1 -48.5(4) . . . . ?
C1 Pt1 P2 C51 -176.1(2) . . . . ?
C11 Pt1 P2 C51 0.2(2) . . . . ?
P1 Pt1 P2 C51 155.5(8) . . . . ?
Pt2 Pt1 P2 C51 -163.72(19) . . . . ?
C1 Pt1 P2 C1B -52.3(2) . . . . ?
C11 Pt1 P2 C1B 123.9(2) . . . . ?
P1 Pt1 P2 C1B -80.7(8) . . . . ?
Pt2 Pt1 P2 C1B -39.96(18) . . . . ?
C1 Pt1 P2 C41 62.4(2) . . . . ?
C11 Pt1 P2 C41 -121.3(2) . . . . ?
P1 Pt1 P2 C41 34.0(8) . . . . ?
Pt2 Pt1 P2 C41 74.74(17) . . . . ?
Pt1 C1 C2 C3 7(11) . . . . ?
P2 C1B C2B C3B 167.5(4) . . . . ?
P1 C1A C2A C3A 169.3(4) . . . . ?
C8 Pt2 P3 C71 -85.5(2) . . . . ?
C61 Pt2 P3 C71 94.3(2) . . . . ?
P4 Pt2 P3 C71 -31.4(4) . . . . ?
Pt1 Pt2 P3 C71 -76.47(16) . . . . ?
C8 Pt2 P3 C81 155.8(2) . . . . ?
C61 Pt2 P3 C81 -24.4(2) . . . . ?
P4 Pt2 P3 C81 -150.1(3) . . . . ?
Pt1 Pt2 P3 C81 164.85(19) . . . . ?
C8 Pt2 P3 C16B 31.1(2) . . . . ?
C61 Pt2 P3 C16B -149.1(2) . . . . ?
P4 Pt2 P3 C16B 85.2(3) . . . . ?
Pt1 Pt2 P3 C16B 40.13(19) . . . . ?
C1 C2 C3 C4 -39(18) . . . . ?
C1A C2A C3A C4A 51.3(8) . . . . ?
C1B C2B C3B C4B -74.3(8) . . . . ?
C8 Pt2 P4 C91 -170.2(2) . . . . ?
C61 Pt2 P4 C91 10.0(2) . . . . ?
P3 Pt2 P4 C91 135.6(3) . . . . ?
Pt1 Pt2 P4 C91 -179.48(19) . . . . ?
C8 Pt2 P4 C101 70.8(2) . . . . ?
C61 Pt2 P4 C101 -108.9(2) . . . . ?
P3 Pt2 P4 C101 16.7(4) . . . . ?
Pt1 Pt2 P4 C101 61.56(18) . . . . ?
C8 Pt2 P4 C16A -43.9(3) . . . . ?
C61 Pt2 P4 C16A 136.3(3) . . . . ?
P3 Pt2 P4 C16A -98.1(4) . . . . ?
Pt1 Pt2 P4 C16A -53.2(2) . . . . ?
C2 C3 C4 C5 6(20) . . . . ?
C2A C3A C4A O5A 61.4(8) . . . . ?
C2B C3B C4B O5B -177.8(6) . . . . ?
C3 C4 C5 C6 -11(13) . . . . ?
C3A C4A O5A C6A -160.6(7) . . . . ?
C3B C4B O5B C6B -175.9(7) . . . . ?
C4 C5 C6 C7 105(36) . . . . ?
C4B O5B C6B C7B -75.6(9) . . . . ?
C4A O5A C6A C7A -68.1(10) . . . . ?
C5 C6 C7 C8 23(46) . . . . ?
O5A C6A C7A C8A -179.3(8) . . . . ?
O5B C6B C7B C8B -165.5(7) . . . . ?
C6 C7 C8 Pt2 -23(18) . . . . ?
C61 Pt2 C8 C7 -63(60) . . . . ?
P4 Pt2 C8 C7 -145(6) . . . . ?
P3 Pt2 C8 C7 27(6) . . . . ?
Pt1 Pt2 C8 C7 -46(5) . . . . ?
C6B C7B C8B C9B -179.3(7) . . . . ?
C6A C7A C8A C9A -164.0(11) . . . . ?
C7B C8B C9B C10B 60.6(10) . . . . ?
C7A C8A C9A C10A -178.3(9) . . . . ?
C8B C9B C10B C11B 59.9(10) . . . . ?
C8A C9A C10A C11A -74.8(13) . . . . ?
C1 Pt1 C11 C12 146(3) . . . . ?
P2 Pt1 C11 C12 78.2(5) . . . . ?
P1 Pt1 C11 C12 -100.3(5) . . . . ?
Pt2 Pt1 C11 C12 139.5(4) . . . . ?
C1 Pt1 C11 C16 -32(3) . . . . ?
P2 Pt1 C11 C16 -99.7(4) . . . . ?
P1 Pt1 C11 C16 81.9(4) . . . . ?
Pt2 Pt1 C11 C16 -38.4(7) . . . . ?
C9A C10A C11A O12A -166.5(8) . . . . ?
C9B C10B C11B O12B 61.8(9) . . . . ?
C16 C11 C12 F12 178.2(5) . . . . ?
Pt1 C11 C12 F12 0.2(8) . . . . ?
C16 C11 C12 C13 1.5(9) . . . . ?
Pt1 C11 C12 C13 -176.5(5) . . . . ?
C10A C11A O12A C13A -178.6(6) . . . . ?
C10B C11B O12B C13B 178.1(6) . . . . ?
F12 C12 C13 F13 -0.7(10) . . . . ?
C11 C12 C13 F13 176.0(6) . . . . ?
F12 C12 C13 C14 -179.2(6) . . . . ?
C11 C12 C13 C14 -2.4(11) . . . . ?
C11A O12A C13A C14A 178.5(5) . . . . ?
C11B O12B C13B C14B -178.9(5) . . . . ?
F13 C13 C14 F14 3.2(11) . . . . ?
C12 C13 C14 F14 -178.3(6) . . . . ?
F13 C13 C14 C15 -177.6(6) . . . . ?
C12 C13 C14 C15 0.9(11) . . . . ?
O12B C13B C14B C15B -59.2(6) . . . . ?
O12A C13A C14A C15A -71.9(6) . . . . ?
F14 C14 C15 F15 -1.5(10) . . . . ?
C13 C14 C15 F15 179.3(6) . . . . ?
F14 C14 C15 C16 -179.4(6) . . . . ?
C13 C14 C15 C16 1.3(10) . . . . ?
C13B C14B C15B C16B -65.2(6) . . . . ?
C13A C14A C15A C16A -79.4(6) . . . . ?
F15 C15 C16 F16 1.9(8) . . . . ?
C14 C15 C16 F16 179.8(5) . . . . ?
F15 C15 C16 C11 179.7(5) . . . . ?
C14 C15 C16 C11 -2.4(9) . . . . ?
C12 C11 C16 C15 1.0(8) . . . . ?
Pt1 C11 C16 C15 179.0(4) . . . . ?
C12 C11 C16 F16 178.7(5) . . . . ?
Pt1 C11 C16 F16 -3.2(7) . . . . ?
C14B C15B C16B P3 177.9(4) . . . . ?
C71 P3 C16B C15B -52.1(4) . . . . ?
C81 P3 C16B C15B 60.0(4) . . . . ?
Pt2 P3 C16B C15B -170.6(3) . . . . ?
C14A C15A C16A P4 173.6(4) . . . . ?
C91 P4 C16A C15A 81.6(5) . . . . ?
C101 P4 C16A C15A -167.2(4) . . . . ?
Pt2 P4 C16A C15A -47.3(5) . . . . ?
C31 P1 C21 C26 -154.6(5) . . . . ?
C1A P1 C21 C26 -43.0(6) . . . . ?
Pt1 P1 C21 C26 77.5(6) . . . . ?
C31 P1 C21 C22 38.1(6) . . . . ?
C1A P1 C21 C22 149.7(5) . . . . ?
Pt1 P1 C21 C22 -89.8(5) . . . . ?
C26 C21 C22 C23 -0.5(9) . . . . ?
P1 C21 C22 C23 166.6(5) . . . . ?
C21 C22 C23 C24 -0.7(10) . . . . ?
C22 C23 C24 C25 4.1(13) . . . . ?
C23 C24 C25 C26 -6.5(15) . . . . ?
C22 C21 C26 C25 -1.8(11) . . . . ?
P1 C21 C26 C25 -169.2(7) . . . . ?
C24 C25 C26 C21 5.2(14) . . . . ?
C21 P1 C31 C36 -148.0(5) . . . . ?
C1A P1 C31 C36 99.1(5) . . . . ?
Pt1 P1 C31 C36 -21.2(6) . . . . ?
C21 P1 C31 C32 39.7(6) . . . . ?
C1A P1 C31 C32 -73.2(6) . . . . ?
Pt1 P1 C31 C32 166.5(4) . . . . ?
C36 C31 C32 C33 -0.9(10) . . . . ?
P1 C31 C32 C33 171.5(5) . . . . ?
C31 C32 C33 C34 1.4(12) . . . . ?
C32 C33 C34 C35 -0.7(13) . . . . ?
C33 C34 C35 C36 -0.5(12) . . . . ?
C32 C31 C36 C35 -0.3(10) . . . . ?
P1 C31 C36 C35 -172.8(5) . . . . ?
C34 C35 C36 C31 1.1(11) . . . . ?
C51 P2 C41 C46 64.7(5) . . . . ?
C1B P2 C41 C46 -48.0(5) . . . . ?
Pt1 P2 C41 C46 -167.5(4) . . . . ?
C51 P2 C41 C42 -117.2(4) . . . . ?
C1B P2 C41 C42 130.0(4) . . . . ?
Pt1 P2 C41 C42 10.6(5) . . . . ?
C46 C41 C42 C43 -0.1(9) . . . . ?
P2 C41 C42 C43 -178.1(5) . . . . ?
C41 C42 C43 C44 2.5(10) . . . . ?
C42 C43 C44 C45 -2.7(12) . . . . ?
C43 C44 C45 C46 0.4(11) . . . . ?
C42 C41 C46 C45 -2.2(8) . . . . ?
P2 C41 C46 C45 175.9(4) . . . . ?
C44 C45 C46 C41 2.0(9) . . . . ?
C1B P2 C51 C52 -46.6(5) . . . . ?
C41 P2 C51 C52 -155.4(4) . . . . ?
Pt1 P2 C51 C52 78.6(5) . . . . ?
C1B P2 C51 C56 137.5(5) . . . . ?
C41 P2 C51 C56 28.6(5) . . . . ?
Pt1 P2 C51 C56 -97.4(5) . . . . ?
C56 C51 C52 C53 0.9(8) . . . . ?
P2 C51 C52 C53 -175.1(4) . . . . ?
C51 C52 C53 C54 -0.5(9) . . . . ?
C52 C53 C54 C55 0.6(10) . . . . ?
C53 C54 C55 C56 -1.1(11) . . . . ?
C54 C55 C56 C51 1.5(12) . . . . ?
C52 C51 C56 C55 -1.4(10) . . . . ?
P2 C51 C56 C55 174.7(6) . . . . ?
C8 Pt2 C61 C66 -13(58) . . . . ?
P4 Pt2 C61 C66 69.6(4) . . . . ?
P3 Pt2 C61 C66 -103.1(4) . . . . ?
Pt1 Pt2 C61 C66 -29.3(11) . . . . ?
C8 Pt2 C61 C62 169(100) . . . . ?
P4 Pt2 C61 C62 -108.6(4) . . . . ?
P3 Pt2 C61 C62 78.7(4) . . . . ?
Pt1 Pt2 C61 C62 152.5(6) . . . . ?
C66 C61 C62 F62 -179.8(4) . . . . ?
Pt2 C61 C62 F62 -1.5(6) . . . . ?
C66 C61 C62 C63 1.2(8) . . . . ?
Pt2 C61 C62 C63 179.6(4) . . . . ?
F62 C62 C63 F63 -0.9(8) . . . . ?
C61 C62 C63 F63 178.1(5) . . . . ?
F62 C62 C63 C64 179.0(5) . . . . ?
C61 C62 C63 C64 -2.0(9) . . . . ?
F63 C63 C64 F64 0.6(9) . . . . ?
C62 C63 C64 F64 -179.3(5) . . . . ?
F63 C63 C64 C65 -179.6(6) . . . . ?
C62 C63 C64 C65 0.5(9) . . . . ?
F64 C64 C65 F65 -0.3(10) . . . . ?
C63 C64 C65 F65 179.9(6) . . . . ?
F64 C64 C65 C66 -178.6(6) . . . . ?
C63 C64 C65 C66 1.5(10) . . . . ?
C62 C61 C66 C65 1.1(8) . . . . ?
Pt2 C61 C66 C65 -177.2(5) . . . . ?
C62 C61 C66 F66 179.2(4) . . . . ?
Pt2 C61 C66 F66 0.9(7) . . . . ?
F65 C65 C66 C61 179.2(5) . . . . ?
C64 C65 C66 C61 -2.5(10) . . . . ?
F65 C65 C66 F66 1.0(9) . . . . ?
C64 C65 C66 F66 179.3(5) . . . . ?
C81 P3 C71 C72 -28.9(5) . . . . ?
C16B P3 C71 C72 83.7(5) . . . . ?
Pt2 P3 C71 C72 -153.5(4) . . . . ?
C81 P3 C71 C76 152.6(4) . . . . ?
C16B P3 C71 C76 -94.8(4) . . . . ?
Pt2 P3 C71 C76 28.0(5) . . . . ?
C76 C71 C72 C73 -2.2(8) . . . . ?
P3 C71 C72 C73 179.3(4) . . . . ?
C71 C72 C73 C74 0.9(9) . . . . ?
C72 C73 C74 C75 1.3(9) . . . . ?
C73 C74 C75 C76 -2.2(9) . . . . ?
C74 C75 C76 C71 0.8(9) . . . . ?
C72 C71 C76 C75 1.4(8) . . . . ?
P3 C71 C76 C75 179.9(4) . . . . ?
C71 P3 C81 C86 -43.5(5) . . . . ?
C16B P3 C81 C86 -154.8(4) . . . . ?
Pt2 P3 C81 C86 76.4(4) . . . . ?
C71 P3 C81 C82 143.1(4) . . . . ?
C16B P3 C81 C82 31.8(5) . . . . ?
Pt2 P3 C81 C82 -97.0(4) . . . . ?
C86 C81 C82 C83 -0.1(8) . . . . ?
P3 C81 C82 C83 173.3(4) . . . . ?
C81 C82 C83 C84 0.7(9) . . . . ?
C82 C83 C84 C85 -0.6(10) . . . . ?
C83 C84 C85 C86 -0.2(9) . . . . ?
C82 C81 C86 C85 -0.6(8) . . . . ?
P3 C81 C86 C85 -174.2(4) . . . . ?
C84 C85 C86 C81 0.8(9) . . . . ?
C101 P4 C91 C96 -172.5(4) . . . . ?
C16A P4 C91 C96 -64.0(5) . . . . ?
Pt2 P4 C91 C96 65.7(5) . . . . ?
C101 P4 C91 C92 13.7(5) . . . . ?
C16A P4 C91 C92 122.2(4) . . . . ?
Pt2 P4 C91 C92 -108.1(4) . . . . ?
C96 C91 C92 C93 -1.3(8) . . . . ?
P4 C91 C92 C93 172.5(5) . . . . ?
C91 C92 C93 C94 0.5(9) . . . . ?
C92 C93 C94 C95 0.2(11) . . . . ?
C93 C94 C95 C96 -0.2(11) . . . . ?
C92 C91 C96 C95 1.3(9) . . . . ?
P4 C91 C96 C95 -172.6(5) . . . . ?
C94 C95 C96 C91 -0.6(11) . . . . ?
C91 P4 C101 C106 -102.1(5) . . . . ?
C16A P4 C101 C106 144.6(5) . . . . ?
Pt2 P4 C101 C106 21.6(5) . . . . ?
C91 P4 C101 C102 77.5(5) . . . . ?
C16A P4 C101 C102 -35.8(5) . . . . ?
Pt2 P4 C101 C102 -158.7(4) . . . . ?
C106 C101 C102 C103 -0.3(8) . . . . ?
P4 C101 C102 C103 -180.0(4) . . . . ?
C101 C102 C103 C104 1.3(9) . . . . ?
C102 C103 C104 C105 -1.5(11) . . . . ?
C103 C104 C105 C106 0.7(11) . . . . ?
C102 C101 C106 C105 -0.4(9) . . . . ?
P4 C101 C106 C105 179.3(5) . . . . ?
C104 C105 C106 C101 0.2(11) . . . . ?
