#------------------------------------------------------------------------------
#$Date: 2022-11-07 07:40:04 +0200 (Mon, 07 Nov 2022) $
#$Revision: 279012 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/18/7061876.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_7061876
loop_
_publ_author_name
'Wei, Qiao-Hua'
'Zhang, Si-Qi'
'Ma, Xian-Jian'
'Huang, Zheng-Zhao'
'Wang, Bin'
_publ_section_title
;
 A novel heterometallic platinum(ii)--silver(i) alkynyl complex
 [PtAg(dppm)2(CCC6H4COOCH3-4)2Cl] with two crystal morphologies
 exhibiting morphology-dependent photoluminescence
;
_journal_issue                   39
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              18990
_journal_page_last               18995
_journal_paper_doi               10.1039/D2NJ02016E
_journal_volume                  46
_journal_year                    2022
_chemical_formula_moiety         'C70 H58 Ag Cl O4 P4 Pt, 2(C H4 O)'
_chemical_formula_sum            'C72 H66 Ag Cl O6 P4 Pt'
_chemical_formula_weight         1489.53
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2022-08-26
_audit_creation_method
;
Olex2 1.5
(compiled 2021.11.18 svn.ra9532c28 for OlexSys, GUI svn.r6429)
;
_audit_update_record
;
2022-08-26 deposited with the CCDC.	2022-08-29 downloaded from the CCDC.
;
_cell_angle_alpha                101.452(3)
_cell_angle_beta                 91.844(3)
_cell_angle_gamma                113.429(3)
_cell_formula_units_Z            2
_cell_length_a                   13.0729(11)
_cell_length_b                   15.4714(13)
_cell_length_c                   17.6099(14)
_cell_measurement_reflns_used    9711
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.06
_cell_measurement_theta_min      2.38
_cell_volume                     3178.4(5)
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       'SAINT V8.38A (Bruker, 2018)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100.02
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0353
_diffrn_reflns_av_unetI/netI     0.0261
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            52969
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.079
_diffrn_reflns_theta_max         25.079
_diffrn_reflns_theta_min         2.177
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.702
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5559
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2016/2'
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.556
_exptl_crystal_description       plate
_exptl_crystal_F_000             1496
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.829
_refine_diff_density_min         -0.570
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     781
_refine_ls_number_reflns         11244
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0220
_refine_ls_R_factor_gt           0.0194
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0085P)²+3.7730P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0430
_refine_ls_wR_factor_ref         0.0444
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10627
_reflns_number_total             11244
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2nj02016e2.cif
_cod_data_source_block           1b
_cod_depositor_comments
'Adding full bibliography for 7061875--7061876.cif.'
_cod_database_code               7061876
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.813
_shelx_estimated_absorpt_t_min   0.614
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All C(H,H,H,H,H,H) groups, All O(H) groups
2. Others
 Sof(O5)=Sof(H5A)=Sof(H71D)=Sof(H71E)=Sof(H71F)=1-FVAR(1)
 Sof(O5A)=Sof(H5AA)=Sof(H71A)=Sof(H71B)=Sof(H71C)=FVAR(1)
3.a Secondary CH2 refined with riding coordinates:
 C33(H33A,H33B), C58(H58A,H58B)
3.b Me refined with riding coordinates:
 C10(H10A,H10B,H10C), C20(H20A,H20B,H20C)
3.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C7(H7), C8(H8), C14(H14), C15(H15), C17(H17), C18(H18),
 C22(H22), C23(H23), C24(H24), C25(H25), C26(H26), C28(H28), C29(H29), C30(H30),
  C31(H31), C32(H32), C35(H35), C36(H36), C37(H37), C38(H38), C39(H39),
 C41(H41), C42(H42), C43(H43), C44(H44), C45(H45), C46(H46), C47(H47), C48(H48),
  C49(H49), C50(H50), C53(H53), C54(H54), C55(H55), C56(H56), C57(H57),
 C59(H59), C60(H60), C61(H61), C62(H62), C63(H63), C65(H65), C66(H66), C67(H67),
  C68(H68), C69(H69)
3.d Idealised Me refined as rotating group:
 C71(H71A,H71B,H71C), C71(H71D,H71E,H71F), C72(H72A,H72B,H72C)
3.e Idealised tetrahedral OH refined as rotating group:
 O5(H5A), O5A(H5AA), O6(H6)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.87234(2) 0.36125(2) 0.80466(2) 0.01219(3) Uani 1 1 d . . . . .
Ag2 Ag 0.78389(2) 0.16575(2) 0.68904(2) 0.01387(4) Uani 1 1 d . . . . .
Cl1 Cl 0.79183(5) 0.03732(5) 0.75743(4) 0.02505(14) Uani 1 1 d . . . . .
P1 P 0.68931(5) 0.33049(4) 0.82574(4) 0.01312(12) Uani 1 1 d . . . . .
P2 P 0.59010(5) 0.15564(4) 0.68421(4) 0.01332(13) Uani 1 1 d . . . . .
P3 P 0.94260(5) 0.23539(4) 0.61555(4) 0.01323(12) Uani 1 1 d . . . . .
P4 P 1.04817(5) 0.38648(4) 0.77032(4) 0.01315(13) Uani 1 1 d . . . . .
O1 O 0.62596(18) 0.64039(14) 0.44433(11) 0.0320(5) Uani 1 1 d . . . . .
O2 O 0.6146(2) 0.51530(17) 0.35079(12) 0.0478(6) Uani 1 1 d . . . . .
O3 O 1.10576(17) 0.22476(13) 1.27333(11) 0.0293(5) Uani 1 1 d . . . . .
O4 O 0.97178(16) 0.07761(14) 1.21862(11) 0.0278(4) Uani 1 1 d . . . . .
C1 C 0.9108(2) 0.33335(17) 0.90521(15) 0.0178(5) Uani 1 1 d . . . . .
C2 C 0.9377(2) 0.31746(19) 0.96581(15) 0.0211(6) Uani 1 1 d . . . . .
C3 C 0.9606(2) 0.28207(19) 1.03104(15) 0.0209(6) Uani 1 1 d . . . . .
C4 C 1.0227(2) 0.34356(19) 1.10148(15) 0.0235(6) Uani 1 1 d . . . . .
H4 H 1.050228 0.411665 1.107562 0.028 Uiso 1 1 calc R U . . .
C5 C 1.0446(2) 0.30667(19) 1.16245(15) 0.0233(6) Uani 1 1 d . . . . .
H5 H 1.088265 0.349375 1.209547 0.028 Uiso 1 1 calc R U . . .
C6 C 1.0025(2) 0.20680(19) 1.15478(15) 0.0212(6) Uani 1 1 d . . . . .
C7 C 0.9383(2) 0.1450(2) 1.08548(16) 0.0253(6) Uani 1 1 d . . . . .
H7 H 0.907992 0.076976 1.080458 0.030 Uiso 1 1 calc R U . . .
C8 C 0.9182(2) 0.18185(19) 1.02379(16) 0.0248(6) Uani 1 1 d . . . . .
H8 H 0.875439 0.138990 0.976453 0.030 Uiso 1 1 calc R U . . .
C9 C 1.0227(2) 0.1620(2) 1.21750(15) 0.0225(6) Uani 1 1 d . . . . .
C10 C 1.1280(3) 0.1831(2) 1.33566(18) 0.0384(8) Uani 1 1 d . . . . .
H10A H 1.189281 0.233057 1.373981 0.058 Uiso 1 1 calc R U . . .
H10B H 1.060198 0.157939 1.361217 0.058 Uiso 1 1 calc R U . . .
H10C H 1.149461 0.130249 1.313788 0.058 Uiso 1 1 calc R U . . .
C11 C 0.8384(2) 0.40543(17) 0.71128(15) 0.0167(5) Uani 1 1 d . . . . .
C12 C 0.8123(2) 0.43694(17) 0.65957(15) 0.0178(5) Uani 1 1 d . . . . .
C13 C 0.7699(2) 0.46927(18) 0.59938(15) 0.0186(5) Uani 1 1 d . . . . .
C14 C 0.7215(2) 0.53578(19) 0.61875(16) 0.0219(6) Uani 1 1 d . . . . .
H14 H 0.718814 0.561185 0.672034 0.026 Uiso 1 1 calc R U . . .
C15 C 0.6774(2) 0.56481(19) 0.56069(16) 0.0233(6) Uani 1 1 d . . . . .
H15 H 0.646042 0.610809 0.574395 0.028 Uiso 1 1 calc R U . . .
C16 C 0.6791(2) 0.52662(18) 0.48254(15) 0.0197(5) Uani 1 1 d . . . . .
C17 C 0.7244(2) 0.45873(19) 0.46278(16) 0.0221(6) Uani 1 1 d . . . . .
H17 H 0.723471 0.431086 0.409381 0.027 Uiso 1 1 calc R U . . .
C18 C 0.7709(2) 0.43120(18) 0.52042(15) 0.0203(5) Uani 1 1 d . . . . .
H18 H 0.803718 0.386306 0.506348 0.024 Uiso 1 1 calc R U . . .
C19 C 0.6359(2) 0.5576(2) 0.41846(17) 0.0263(6) Uani 1 1 d . . . . .
C20 C 0.5874(3) 0.6773(3) 0.3849(2) 0.0451(9) Uani 1 1 d . . . . .
H20A H 0.582635 0.738082 0.409293 0.068 Uiso 1 1 calc R U . . .
H20B H 0.640370 0.688903 0.346112 0.068 Uiso 1 1 calc R U . . .
H20C H 0.513023 0.629760 0.359328 0.068 Uiso 1 1 calc R U . . .
C21 C 0.6721(2) 0.44101(17) 0.86515(15) 0.0185(5) Uani 1 1 d . . . . .
C22 C 0.7292(3) 0.4936(2) 0.93903(17) 0.0292(6) Uani 1 1 d . . . . .
H22 H 0.773342 0.470411 0.966018 0.035 Uiso 1 1 calc R U . . .
C23 C 0.7220(3) 0.5790(2) 0.97322(19) 0.0412(8) Uani 1 1 d . . . . .
H23 H 0.761197 0.614453 1.023532 0.049 Uiso 1 1 calc R U . . .
C24 C 0.6579(3) 0.6127(2) 0.9342(2) 0.0468(9) Uani 1 1 d . . . . .
H24 H 0.652386 0.671163 0.958003 0.056 Uiso 1 1 calc R U . . .
C25 C 0.6013(3) 0.5619(2) 0.8604(2) 0.0457(9) Uani 1 1 d . . . . .
H25 H 0.557294 0.585442 0.833719 0.055 Uiso 1 1 calc R U . . .
C26 C 0.6093(3) 0.4763(2) 0.82571(18) 0.0316(7) Uani 1 1 d . . . . .
H26 H 0.571637 0.441851 0.774830 0.038 Uiso 1 1 calc R U . . .
C27 C 0.6245(2) 0.25182(17) 0.89022(14) 0.0153(5) Uani 1 1 d . . . . .
C28 C 0.5368(2) 0.26012(19) 0.92960(15) 0.0209(6) Uani 1 1 d . . . . .
H28 H 0.513606 0.310025 0.925262 0.025 Uiso 1 1 calc R U . . .
C29 C 0.4834(2) 0.19561(19) 0.97510(16) 0.0244(6) Uani 1 1 d . . . . .
H29 H 0.423452 0.201241 1.001621 0.029 Uiso 1 1 calc R U . . .
C30 C 0.5173(2) 0.12307(19) 0.98198(16) 0.0240(6) Uani 1 1 d . . . . .
H30 H 0.480726 0.079026 1.013217 0.029 Uiso 1 1 calc R U . . .
C31 C 0.6045(2) 0.11486(18) 0.94332(15) 0.0214(6) Uani 1 1 d . . . . .
H31 H 0.627633 0.065039 0.948211 0.026 Uiso 1 1 calc R U . . .
C32 C 0.6586(2) 0.17852(17) 0.89751(14) 0.0171(5) Uani 1 1 d . . . . .
H32 H 0.718522 0.172433 0.871179 0.021 Uiso 1 1 calc R U . . .
C33 C 0.5920(2) 0.27337(17) 0.73494(14) 0.0149(5) Uani 1 1 d . . . . .
H33A H 0.613237 0.317981 0.699230 0.018 Uiso 1 1 calc R U . . .
H33B H 0.515241 0.263395 0.747070 0.018 Uiso 1 1 calc R U . . .
C34 C 0.4820(2) 0.06716(17) 0.72598(14) 0.0151(5) Uani 1 1 d . . . . .
C35 C 0.5055(2) -0.00520(18) 0.74772(14) 0.0189(5) Uani 1 1 d . . . . .
H35 H 0.574874 -0.009270 0.738728 0.023 Uiso 1 1 calc R U . . .
C36 C 0.4275(2) -0.07168(19) 0.78263(15) 0.0238(6) Uani 1 1 d . . . . .
H36 H 0.443646 -0.121227 0.797298 0.029 Uiso 1 1 calc R U . . .
C37 C 0.3266(2) -0.06589(19) 0.79607(15) 0.0251(6) Uani 1 1 d . . . . .
H37 H 0.274165 -0.110737 0.820825 0.030 Uiso 1 1 calc R U . . .
C38 C 0.3016(2) 0.00514(19) 0.77354(16) 0.0241(6) Uani 1 1 d . . . . .
H38 H 0.231619 0.008249 0.781894 0.029 Uiso 1 1 calc R U . . .
C39 C 0.3795(2) 0.07182(18) 0.73865(15) 0.0211(6) Uani 1 1 d . . . . .
H39 H 0.362649 0.120740 0.723398 0.025 Uiso 1 1 calc R U . . .
C40 C 0.5259(2) 0.14073(18) 0.58600(14) 0.0162(5) Uani 1 1 d . . . . .
C41 C 0.4268(2) 0.06224(18) 0.55029(14) 0.0176(5) Uani 1 1 d . . . . .
H41 H 0.388606 0.013785 0.577557 0.021 Uiso 1 1 calc R U . . .
C42 C 0.3836(2) 0.05461(18) 0.47484(15) 0.0191(5) Uani 1 1 d . . . . .
H42 H 0.316257 0.000530 0.450892 0.023 Uiso 1 1 calc R U . . .
C43 C 0.4371(2) 0.12463(19) 0.43417(15) 0.0228(6) Uani 1 1 d . . . . .
H43 H 0.405945 0.119997 0.383278 0.027 Uiso 1 1 calc R U . . .
C44 C 0.5369(2) 0.2015(2) 0.46880(16) 0.0308(7) Uani 1 1 d . . . . .
H44 H 0.575074 0.249601 0.441199 0.037 Uiso 1 1 calc R U . . .
C45 C 0.5816(2) 0.2089(2) 0.54345(16) 0.0267(6) Uani 1 1 d . . . . .
H45 H 0.651163 0.261112 0.565937 0.032 Uiso 1 1 calc R U . . .
C46 C 0.8103(2) 0.18644(18) 0.47498(15) 0.0211(6) Uani 1 1 d . . . . .
H46 H 0.757856 0.138842 0.497564 0.025 Uiso 1 1 calc R U . . .
C47 C 0.7842(2) 0.1899(2) 0.39867(16) 0.0285(6) Uani 1 1 d . . . . .
H47 H 0.714695 0.144544 0.369449 0.034 Uiso 1 1 calc R U . . .
C48 C 0.8593(2) 0.2592(2) 0.36548(16) 0.0270(6) Uani 1 1 d . . . . .
H48 H 0.842259 0.260906 0.313107 0.032 Uiso 1 1 calc R U . . .
C49 C 0.9597(2) 0.32617(19) 0.40880(16) 0.0244(6) Uani 1 1 d . . . . .
H49 H 1.010646 0.375019 0.386530 0.029 Uiso 1 1 calc R U . . .
C50 C 0.9862(2) 0.32221(18) 0.48456(15) 0.0197(5) Uani 1 1 d . . . . .
H50 H 1.055572 0.368012 0.513657 0.024 Uiso 1 1 calc R U . . .
C51 C 0.9116(2) 0.25143(17) 0.51854(14) 0.0154(5) Uani 1 1 d . . . . .
C52 C 1.0284(2) 0.16654(17) 0.59790(14) 0.0150(5) Uani 1 1 d . . . . .
C53 C 1.1022(2) 0.1790(2) 0.54184(16) 0.0272(6) Uani 1 1 d . . . . .
H53 H 1.110247 0.225656 0.511960 0.033 Uiso 1 1 calc R U . . .
C54 C 1.1640(3) 0.1238(2) 0.52933(18) 0.0333(7) Uani 1 1 d . . . . .
H54 H 1.213077 0.131558 0.490147 0.040 Uiso 1 1 calc R U . . .
C55 C 1.1543(2) 0.0570(2) 0.57398(17) 0.0274(6) Uani 1 1 d . . . . .
H55 H 1.196446 0.018967 0.565220 0.033 Uiso 1 1 calc R U . . .
C56 C 1.0836(2) 0.04603(19) 0.63093(17) 0.0257(6) Uani 1 1 d . . . . .
H56 H 1.078815 0.001883 0.662657 0.031 Uiso 1 1 calc R U . . .
C57 C 1.0191(2) 0.09943(18) 0.64210(16) 0.0209(6) Uani 1 1 d . . . . .
H57 H 0.968428 0.089936 0.680232 0.025 Uiso 1 1 calc R U . . .
C58 C 1.0446(2) 0.35872(17) 0.66409(14) 0.0149(5) Uani 1 1 d . . . . .
H58A H 1.120480 0.366500 0.651158 0.018 Uiso 1 1 calc R U . . .
H58B H 1.025720 0.406075 0.643105 0.018 Uiso 1 1 calc R U . . .
C59 C 1.2070(3) 0.5641(2) 0.74990(17) 0.0365(8) Uani 1 1 d . . . . .
H59 H 1.195333 0.534404 0.695812 0.044 Uiso 1 1 calc R U . . .
C60 C 1.2844(3) 0.6591(2) 0.77691(18) 0.0412(9) Uani 1 1 d . . . . .
H60 H 1.325082 0.694545 0.741322 0.049 Uiso 1 1 calc R U . . .
C61 C 1.3023(2) 0.70228(19) 0.85553(16) 0.0258(6) Uani 1 1 d . . . . .
H61 H 1.356178 0.767113 0.874230 0.031 Uiso 1 1 calc R U . . .
C62 C 1.2420(2) 0.65113(19) 0.90675(16) 0.0252(6) Uani 1 1 d . . . . .
H62 H 1.253920 0.680938 0.960820 0.030 Uiso 1 1 calc R U . . .
C63 C 1.1644(2) 0.55668(18) 0.87982(15) 0.0216(6) Uani 1 1 d . . . . .
H63 H 1.122727 0.521938 0.915462 0.026 Uiso 1 1 calc R U . . .
C64 C 1.1467(2) 0.51214(17) 0.80109(14) 0.0155(5) Uani 1 1 d . . . . .
C65 C 1.2384(2) 0.35438(19) 0.80279(16) 0.0229(6) Uani 1 1 d . . . . .
H65 H 1.278591 0.412861 0.787041 0.028 Uiso 1 1 calc R U . . .
C66 C 1.2949(2) 0.3025(2) 0.82540(16) 0.0281(6) Uani 1 1 d . . . . .
H66 H 1.374052 0.326164 0.825544 0.034 Uiso 1 1 calc R U . . .
C67 C 1.2373(2) 0.2168(2) 0.84769(16) 0.0273(6) Uani 1 1 d . . . . .
H67 H 1.276713 0.181980 0.863335 0.033 Uiso 1 1 calc R U . . .
C68 C 1.1222(2) 0.18216(19) 0.84710(16) 0.0260(6) Uani 1 1 d . . . . .
H68 H 1.082196 0.122637 0.861415 0.031 Uiso 1 1 calc R U . . .
C69 C 1.0644(2) 0.23374(18) 0.82574(15) 0.0199(5) Uani 1 1 d . . . . .
H69 H 0.985453 0.210005 0.826428 0.024 Uiso 1 1 calc R U . . .
C70 C 1.1220(2) 0.32012(17) 0.80331(14) 0.0165(5) Uani 1 1 d . . . . .
O5 O 0.4222(5) 0.2206(4) 0.1790(3) 0.0598(19) Uani 0.499(6) 1 d . . P A 2
H5A H 0.365029 0.171077 0.156639 0.090 Uiso 0.499(6) 1 calc R U P A 2
O5A O 0.4744(4) 0.3014(3) 0.3288(2) 0.0429(15) Uani 0.501(6) 1 d . . P A 1
H5AA H 0.513986 0.359346 0.328394 0.064 Uiso 0.501(6) 1 calc R U P A 1
O6 O 0.2785(3) 0.0553(2) 0.09660(18) 0.0674(8) Uani 1 1 d . . . . .
H6 H 0.259095 0.028515 0.134004 0.101 Uiso 1 1 calc R U . . .
C71 C 0.4043(4) 0.2541(3) 0.2565(3) 0.0778(14) Uani 1 1 d . . . . .
H71A H 0.450941 0.253697 0.214137 0.117 Uiso 0.501(6) 1 calc R U P A 1
H71B H 0.357867 0.288516 0.247699 0.117 Uiso 0.501(6) 1 calc R U P A 1
H71C H 0.355621 0.187304 0.257927 0.117 Uiso 0.501(6) 1 calc R U P A 1
H71D H 0.338350 0.269247 0.255107 0.117 Uiso 0.499(6) 1 calc R U P A 2
H71E H 0.470463 0.312393 0.282325 0.117 Uiso 0.499(6) 1 calc R U P A 2
H71F H 0.391661 0.203608 0.285618 0.117 Uiso 0.499(6) 1 calc R U P A 2
C72 C 0.1994(4) 0.0882(3) 0.0756(3) 0.0652(12) Uani 1 1 d . . . . .
H72A H 0.209103 0.101748 0.023608 0.098 Uiso 1 1 calc R U . . .
H72B H 0.209725 0.147525 0.113582 0.098 Uiso 1 1 calc R U . . .
H72C H 0.123724 0.038500 0.074764 0.098 Uiso 1 1 calc R U . . .
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
_geom_angle_publ_flag
P1 Pt1 Ag2 88.025(16) . . ?
P4 Pt1 Ag2 87.872(16) . . ?
P4 Pt1 P1 174.16(2) . . ?
C1 Pt1 Ag2 104.16(7) . . ?
C1 Pt1 P1 94.06(7) . . ?
C1 Pt1 P4 90.98(7) . . ?
C1 Pt1 C11 173.10(10) . . ?
C11 Pt1 Ag2 82.71(7) . . ?
C11 Pt1 P1 85.47(7) . . ?
C11 Pt1 P4 89.89(7) . . ?
Cl1 Ag2 Pt1 109.726(19) . . ?
P2 Ag2 Pt1 91.321(16) . . ?
P2 Ag2 Cl1 107.97(2) . . ?
P3 Ag2 Pt1 87.814(16) . . ?
P3 Ag2 Cl1 115.72(2) . . ?
P3 Ag2 P2 133.78(2) . . ?
C21 P1 Pt1 111.89(8) . . ?
C21 P1 C33 105.09(12) . . ?
C27 P1 Pt1 118.70(8) . . ?
C27 P1 C21 104.55(11) . . ?
C27 P1 C33 103.21(11) . . ?
C33 P1 Pt1 112.16(8) . . ?
C33 P2 Ag2 109.69(8) . . ?
C34 P2 Ag2 120.88(8) . . ?
C34 P2 C33 103.98(11) . . ?
C34 P2 C40 104.77(11) . . ?
C40 P2 Ag2 113.81(8) . . ?
C40 P2 C33 101.64(11) . . ?
C51 P3 Ag2 118.20(8) . . ?
C51 P3 C58 101.29(11) . . ?
C52 P3 Ag2 114.12(8) . . ?
C52 P3 C51 103.12(11) . . ?
C52 P3 C58 103.87(11) . . ?
C58 P3 Ag2 114.35(8) . . ?
C58 P4 Pt1 110.75(8) . . ?
C64 P4 Pt1 112.50(8) . . ?
C64 P4 C58 104.09(11) . . ?
C64 P4 C70 104.30(11) . . ?
C70 P4 Pt1 119.57(8) . . ?
C70 P4 C58 104.22(11) . . ?
C19 O1 C20 115.3(2) . . ?
C9 O3 C10 114.2(2) . . ?
C2 C1 Pt1 177.9(2) . . ?
C1 C2 C3 170.5(3) . . ?
C4 C3 C2 122.7(2) . . ?
C4 C3 C8 118.8(2) . . ?
C8 C3 C2 118.5(2) . . ?
C3 C4 H4 119.5 . . ?
C5 C4 C3 121.0(2) . . ?
C5 C4 H4 119.5 . . ?
C4 C5 H5 120.0 . . ?
C4 C5 C6 120.0(2) . . ?
C6 C5 H5 120.0 . . ?
C5 C6 C9 123.1(2) . . ?
C7 C6 C5 119.4(2) . . ?
C7 C6 C9 117.6(2) . . ?
C6 C7 H7 119.7 . . ?
C8 C7 C6 120.7(2) . . ?
C8 C7 H7 119.7 . . ?
C3 C8 H8 119.9 . . ?
C7 C8 C3 120.2(2) . . ?
C7 C8 H8 119.9 . . ?
O3 C9 C6 112.8(2) . . ?
O4 C9 O3 122.8(2) . . ?
O4 C9 C6 124.4(2) . . ?
O3 C10 H10A 109.5 . . ?
O3 C10 H10B 109.5 . . ?
O3 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 Pt1 173.3(2) . . ?
C11 C12 C13 174.3(3) . . ?
C14 C13 C12 120.5(2) . . ?
C18 C13 C12 120.6(2) . . ?
C18 C13 C14 118.8(2) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 C13 120.6(3) . . ?
C15 C14 H14 119.7 . . ?
C14 C15 H15 120.0 . . ?
C14 C15 C16 120.1(3) . . ?
C16 C15 H15 120.0 . . ?
C15 C16 C17 119.7(2) . . ?
C15 C16 C19 122.0(2) . . ?
C17 C16 C19 118.3(2) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 C16 120.5(3) . . ?
C18 C17 H17 119.8 . . ?
C13 C18 H18 119.8 . . ?
C17 C18 C13 120.3(2) . . ?
C17 C18 H18 119.8 . . ?
O1 C19 C16 111.8(2) . . ?
O2 C19 O1 123.1(3) . . ?
O2 C19 C16 125.1(3) . . ?
O1 C20 H20A 109.5 . . ?
O1 C20 H20B 109.5 . . ?
O1 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 P1 116.5(2) . . ?
C26 C21 P1 124.2(2) . . ?
C26 C21 C22 119.3(2) . . ?
C21 C22 H22 119.7 . . ?
C23 C22 C21 120.6(3) . . ?
C23 C22 H22 119.7 . . ?
C22 C23 H23 120.1 . . ?
C24 C23 C22 119.8(3) . . ?
C24 C23 H23 120.1 . . ?
C23 C24 H24 119.8 . . ?
C23 C24 C25 120.5(3) . . ?
C25 C24 H24 119.8 . . ?
C24 C25 H25 120.2 . . ?
C24 C25 C26 119.7(3) . . ?
C26 C25 H25 120.2 . . ?
C21 C26 C25 120.2(3) . . ?
C21 C26 H26 119.9 . . ?
C25 C26 H26 119.9 . . ?
C28 C27 P1 120.73(19) . . ?
C28 C27 C32 119.5(2) . . ?
C32 C27 P1 119.73(19) . . ?
C27 C28 H28 119.9 . . ?
C29 C28 C27 120.1(2) . . ?
C29 C28 H28 119.9 . . ?
C28 C29 H29 119.9 . . ?
C30 C29 C28 120.2(3) . . ?
C30 C29 H29 119.9 . . ?
C29 C30 H30 120.1 . . ?
C31 C30 C29 119.9(2) . . ?
C31 C30 H30 120.1 . . ?
C30 C31 H31 119.7 . . ?
C30 C31 C32 120.7(2) . . ?
C32 C31 H31 119.7 . . ?
C27 C32 H32 120.2 . . ?
C31 C32 C27 119.7(2) . . ?
C31 C32 H32 120.2 . . ?
P1 C33 P2 113.69(12) . . ?
P1 C33 H33A 108.8 . . ?
P1 C33 H33B 108.8 . . ?
P2 C33 H33A 108.8 . . ?
P2 C33 H33B 108.8 . . ?
H33A C33 H33B 107.7 . . ?
C35 C34 P2 118.14(19) . . ?
C35 C34 C39 119.5(2) . . ?
C39 C34 P2 122.33(19) . . ?
C34 C35 H35 120.0 . . ?
C34 C35 C36 120.1(2) . . ?
C36 C35 H35 120.0 . . ?
C35 C36 H36 119.9 . . ?
C37 C36 C35 120.2(3) . . ?
C37 C36 H36 119.9 . . ?
C36 C37 H37 119.9 . . ?
C36 C37 C38 120.2(2) . . ?
C38 C37 H37 119.9 . . ?
C37 C38 H38 120.1 . . ?
C37 C38 C39 119.7(3) . . ?
C39 C38 H38 120.1 . . ?
C34 C39 H39 119.9 . . ?
C38 C39 C34 120.3(2) . . ?
C38 C39 H39 119.9 . . ?
C41 C40 P2 123.24(19) . . ?
C41 C40 C45 118.4(2) . . ?
C45 C40 P2 118.30(19) . . ?
C40 C41 H41 119.9 . . ?
C42 C41 C40 120.2(2) . . ?
C42 C41 H41 119.9 . . ?
C41 C42 H42 119.5 . . ?
C43 C42 C41 121.0(2) . . ?
C43 C42 H42 119.5 . . ?
C42 C43 H43 120.5 . . ?
C42 C43 C44 119.0(2) . . ?
C44 C43 H43 120.5 . . ?
C43 C44 H44 119.8 . . ?
C43 C44 C45 120.5(3) . . ?
C45 C44 H44 119.8 . . ?
C40 C45 H45 119.5 . . ?
C44 C45 C40 120.9(2) . . ?
C44 C45 H45 119.5 . . ?
C47 C46 H46 119.5 . . ?
C51 C46 H46 119.5 . . ?
C51 C46 C47 121.0(2) . . ?
C46 C47 H47 120.0 . . ?
C48 C47 C46 120.0(3) . . ?
C48 C47 H47 120.0 . . ?
C47 C48 H48 120.1 . . ?
C47 C48 C49 119.8(2) . . ?
C49 C48 H48 120.1 . . ?
C48 C49 H49 119.9 . . ?
C48 C49 C50 120.2(2) . . ?
C50 C49 H49 119.9 . . ?
C49 C50 H50 119.7 . . ?
C49 C50 C51 120.6(2) . . ?
C51 C50 H50 119.7 . . ?
C46 C51 P3 117.70(18) . . ?
C46 C51 C50 118.3(2) . . ?
C50 C51 P3 123.88(19) . . ?
C53 C52 P3 122.27(19) . . ?
C57 C52 P3 118.58(19) . . ?
C57 C52 C53 119.2(2) . . ?
C52 C53 H53 119.8 . . ?
C54 C53 C52 120.3(3) . . ?
C54 C53 H53 119.8 . . ?
C53 C54 H54 120.0 . . ?
C53 C54 C55 120.0(3) . . ?
C55 C54 H54 120.0 . . ?
C54 C55 H55 120.0 . . ?
C56 C55 C54 120.0(3) . . ?
C56 C55 H55 120.0 . . ?
C55 C56 H56 120.0 . . ?
C55 C56 C57 120.0(2) . . ?
C57 C56 H56 120.0 . . ?
C52 C57 C56 120.4(2) . . ?
C52 C57 H57 119.8 . . ?
C56 C57 H57 119.8 . . ?
P3 C58 H58A 108.8 . . ?
P3 C58 H58B 108.8 . . ?
P4 C58 P3 113.65(12) . . ?
P4 C58 H58A 108.8 . . ?
P4 C58 H58B 108.8 . . ?
H58A C58 H58B 107.7 . . ?
C60 C59 H59 119.8 . . ?
C64 C59 H59 119.8 . . ?
C64 C59 C60 120.5(3) . . ?
C59 C60 H60 120.0 . . ?
C61 C60 C59 120.0(3) . . ?
C61 C60 H60 120.0 . . ?
C60 C61 H61 120.1 . . ?
C62 C61 C60 119.8(2) . . ?
C62 C61 H61 120.1 . . ?
C61 C62 H62 119.9 . . ?
C61 C62 C63 120.2(2) . . ?
C63 C62 H62 119.9 . . ?
C62 C63 H63 119.8 . . ?
C62 C63 C64 120.5(2) . . ?
C64 C63 H63 119.8 . . ?
C59 C64 P4 122.74(19) . . ?
C59 C64 C63 119.0(2) . . ?
C63 C64 P4 118.20(18) . . ?
C66 C65 H65 120.2 . . ?
C66 C65 C70 119.7(3) . . ?
C70 C65 H65 120.2 . . ?
C65 C66 H66 119.6 . . ?
C67 C66 C65 120.7(3) . . ?
C67 C66 H66 119.6 . . ?
C66 C67 H67 120.2 . . ?
C66 C67 C68 119.6(3) . . ?
C68 C67 H67 120.2 . . ?
C67 C68 H68 119.8 . . ?
C67 C68 C69 120.4(3) . . ?
C69 C68 H68 119.8 . . ?
C68 C69 H69 119.9 . . ?
C68 C69 C70 120.2(3) . . ?
C70 C69 H69 119.9 . . ?
C65 C70 P4 119.29(19) . . ?
C69 C70 P4 121.37(19) . . ?
C69 C70 C65 119.3(2) . . ?
C71 O5 H5A 109.5 . . ?
C71 O5A H5AA 109.5 . . ?
C72 O6 H6 109.5 . . ?
O5 C71 H71D 109.5 . . ?
O5 C71 H71E 109.5 . . ?
O5 C71 H71F 109.5 . . ?
O5A C71 H71A 109.5 . . ?
O5A C71 H71B 109.5 . . ?
O5A C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
H71D C71 H71E 109.5 . . ?
H71D C71 H71F 109.5 . . ?
H71E C71 H71F 109.5 . . ?
O6 C72 H72A 109.5 . . ?
O6 C72 H72B 109.5 . . ?
O6 C72 H72C 109.5 . . ?
H72A C72 H72B 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
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 Ag2 3.0418(3) . ?
Pt1 P1 2.3046(7) . ?
Pt1 P4 2.2960(7) . ?
Pt1 C1 1.998(3) . ?
Pt1 C11 2.002(3) . ?
Ag2 Cl1 2.5526(6) . ?
Ag2 P2 2.4730(7) . ?
Ag2 P3 2.4676(7) . ?
P1 C21 1.817(2) . ?
P1 C27 1.811(2) . ?
P1 C33 1.836(2) . ?
P2 C33 1.853(2) . ?
P2 C34 1.827(2) . ?
P2 C40 1.828(2) . ?
P3 C51 1.830(2) . ?
P3 C52 1.825(2) . ?
P3 C58 1.845(2) . ?
P4 C58 1.829(2) . ?
P4 C64 1.810(2) . ?
P4 C70 1.819(3) . ?
O1 C19 1.330(3) . ?
O1 C20 1.451(3) . ?
O2 C19 1.204(4) . ?
O3 C9 1.342(3) . ?
O3 C10 1.454(3) . ?
O4 C9 1.211(3) . ?
C1 C2 1.213(4) . ?
C2 C3 1.438(4) . ?
C3 C4 1.398(4) . ?
C3 C8 1.400(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.383(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.394(4) . ?
C6 C7 1.393(4) . ?
C6 C9 1.484(4) . ?
C7 H7 0.9500 . ?
C7 C8 1.386(4) . ?
C8 H8 0.9500 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.214(4) . ?
C12 C13 1.440(3) . ?
C13 C14 1.403(4) . ?
C13 C18 1.401(4) . ?
C14 H14 0.9500 . ?
C14 C15 1.389(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.390(4) . ?
C16 C17 1.393(4) . ?
C16 C19 1.487(4) . ?
C17 H17 0.9500 . ?
C17 C18 1.385(4) . ?
C18 H18 0.9500 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.395(4) . ?
C21 C26 1.388(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.379(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.379(5) . ?
C24 H24 0.9500 . ?
C24 C25 1.387(5) . ?
C25 H25 0.9500 . ?
C25 C26 1.389(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.394(4) . ?
C27 C32 1.399(3) . ?
C28 H28 0.9500 . ?
C28 C29 1.387(4) . ?
C29 H29 0.9500 . ?
C29 C30 1.384(4) . ?
C30 H30 0.9500 . ?
C30 C31 1.382(4) . ?
C31 H31 0.9500 . ?
C31 C32 1.385(3) . ?
C32 H32 0.9500 . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.389(3) . ?
C34 C39 1.394(4) . ?
C35 H35 0.9500 . ?
C35 C36 1.390(3) . ?
C36 H36 0.9500 . ?
C36 C37 1.382(4) . ?
C37 H37 0.9500 . ?
C37 C38 1.386(4) . ?
C38 H38 0.9500 . ?
C38 C39 1.391(4) . ?
C39 H39 0.9500 . ?
C40 C41 1.393(3) . ?
C40 C45 1.393(4) . ?
C41 H41 0.9500 . ?
C41 C42 1.391(4) . ?
C42 H42 0.9500 . ?
C42 C43 1.384(4) . ?
C43 H43 0.9500 . ?
C43 C44 1.384(4) . ?
C44 H44 0.9500 . ?
C44 C45 1.386(4) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C46 C47 1.392(4) . ?
C46 C51 1.387(3) . ?
C47 H47 0.9500 . ?
C47 C48 1.380(4) . ?
C48 H48 0.9500 . ?
C48 C49 1.385(4) . ?
C49 H49 0.9500 . ?
C49 C50 1.387(4) . ?
C50 H50 0.9500 . ?
C50 C51 1.398(3) . ?
C52 C53 1.390(4) . ?
C52 C57 1.388(3) . ?
C53 H53 0.9500 . ?
C53 C54 1.385(4) . ?
C54 H54 0.9500 . ?
C54 C55 1.387(4) . ?
C55 H55 0.9500 . ?
C55 C56 1.375(4) . ?
C56 H56 0.9500 . ?
C56 C57 1.389(4) . ?
C57 H57 0.9500 . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C59 H59 0.9500 . ?
C59 C60 1.386(4) . ?
C59 C64 1.382(4) . ?
C60 H60 0.9500 . ?
C60 C61 1.380(4) . ?
C61 H61 0.9500 . ?
C61 C62 1.376(4) . ?
C62 H62 0.9500 . ?
C62 C63 1.380(4) . ?
C63 H63 0.9500 . ?
C63 C64 1.387(3) . ?
C65 H65 0.9500 . ?
C65 C66 1.389(4) . ?
C65 C70 1.400(4) . ?
C66 H66 0.9500 . ?
C66 C67 1.382(4) . ?
C67 H67 0.9500 . ?
C67 C68 1.382(4) . ?
C68 H68 0.9500 . ?
C68 C69 1.388(4) . ?
C69 H69 0.9500 . ?
C69 C70 1.392(3) . ?
O5 H5A 0.8400 . ?
O5 C71 1.423(7) . ?
O5A H5AA 0.8400 . ?
O5A C71 1.420(6) . ?
O6 H6 0.8400 . ?
O6 C72 1.390(4) . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C71 H71D 0.9800 . ?
C71 H71E 0.9800 . ?
C71 H71F 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 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
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 P1 C21 C22 -64.4(2) . . . . ?
Pt1 P1 C21 C26 113.8(2) . . . . ?
Pt1 P1 C27 C28 154.06(17) . . . . ?
Pt1 P1 C27 C32 -29.3(2) . . . . ?
Pt1 P1 C33 P2 60.03(14) . . . . ?
Pt1 P4 C58 P3 -55.22(14) . . . . ?
Pt1 P4 C64 C59 -124.8(2) . . . . ?
Pt1 P4 C64 C63 57.3(2) . . . . ?
Pt1 P4 C70 C65 -161.32(17) . . . . ?
Pt1 P4 C70 C69 21.6(2) . . . . ?
Ag2 P2 C33 P1 -41.22(14) . . . . ?
Ag2 P2 C34 C35 -11.4(2) . . . . ?
Ag2 P2 C34 C39 166.70(18) . . . . ?
Ag2 P2 C40 C41 121.2(2) . . . . ?
Ag2 P2 C40 C45 -55.7(2) . . . . ?
Ag2 P3 C51 C46 -30.8(2) . . . . ?
Ag2 P3 C51 C50 152.31(19) . . . . ?
Ag2 P3 C52 C53 163.17(19) . . . . ?
Ag2 P3 C52 C57 -16.7(2) . . . . ?
Ag2 P3 C58 P4 25.65(16) . . . . ?
P1 C21 C22 C23 179.3(2) . . . . ?
P1 C21 C26 C25 -179.7(3) . . . . ?
P1 C27 C28 C29 176.1(2) . . . . ?
P1 C27 C32 C31 -176.28(19) . . . . ?
P2 C34 C35 C36 177.40(19) . . . . ?
P2 C34 C39 C38 -177.37(19) . . . . ?
P2 C40 C41 C42 -178.89(19) . . . . ?
P2 C40 C45 C44 -179.9(2) . . . . ?
P3 C52 C53 C54 -178.7(2) . . . . ?
P3 C52 C57 C56 -179.5(2) . . . . ?
C2 C3 C4 C5 -178.9(3) . . . . ?
C2 C3 C8 C7 -179.8(3) . . . . ?
C3 C4 C5 C6 -1.4(4) . . . . ?
C4 C3 C8 C7 -0.4(4) . . . . ?
C4 C5 C6 C7 -0.2(4) . . . . ?
C4 C5 C6 C9 179.8(3) . . . . ?
C5 C6 C7 C8 1.5(4) . . . . ?
C5 C6 C9 O3 -15.0(4) . . . . ?
C5 C6 C9 O4 166.0(3) . . . . ?
C6 C7 C8 C3 -1.2(4) . . . . ?
C7 C6 C9 O3 165.0(2) . . . . ?
C7 C6 C9 O4 -14.0(4) . . . . ?
C8 C3 C4 C5 1.7(4) . . . . ?
C9 C6 C7 C8 -178.5(3) . . . . ?
C10 O3 C9 O4 -0.8(4) . . . . ?
C10 O3 C9 C6 -179.9(2) . . . . ?
C12 C13 C14 C15 -178.0(2) . . . . ?
C12 C13 C18 C17 176.5(2) . . . . ?
C13 C14 C15 C16 1.2(4) . . . . ?
C14 C13 C18 C17 -0.3(4) . . . . ?
C14 C15 C16 C17 0.4(4) . . . . ?
C14 C15 C16 C19 -178.2(2) . . . . ?
C15 C16 C17 C18 -2.0(4) . . . . ?
C15 C16 C19 O1 16.9(4) . . . . ?
C15 C16 C19 O2 -164.7(3) . . . . ?
C16 C17 C18 C13 1.9(4) . . . . ?
C17 C16 C19 O1 -161.7(2) . . . . ?
C17 C16 C19 O2 16.6(4) . . . . ?
C18 C13 C14 C15 -1.3(4) . . . . ?
C19 C16 C17 C18 176.7(2) . . . . ?
C20 O1 C19 O2 -0.1(4) . . . . ?
C20 O1 C19 C16 178.3(2) . . . . ?
C21 P1 C27 C28 28.5(2) . . . . ?
C21 P1 C27 C32 -154.9(2) . . . . ?
C21 P1 C33 P2 -178.18(12) . . . . ?
C21 C22 C23 C24 0.1(5) . . . . ?
C22 C21 C26 C25 -1.5(4) . . . . ?
C22 C23 C24 C25 -0.6(5) . . . . ?
C23 C24 C25 C26 0.1(6) . . . . ?
C24 C25 C26 C21 1.0(5) . . . . ?
C26 C21 C22 C23 1.0(4) . . . . ?
C27 P1 C21 C22 65.3(2) . . . . ?
C27 P1 C21 C26 -116.4(2) . . . . ?
C27 P1 C33 P2 -68.88(15) . . . . ?
C27 C28 C29 C30 0.4(4) . . . . ?
C28 C27 C32 C31 0.4(4) . . . . ?
C28 C29 C30 C31 -0.1(4) . . . . ?
C29 C30 C31 C32 -0.1(4) . . . . ?
C30 C31 C32 C27 -0.1(4) . . . . ?
C32 C27 C28 C29 -0.5(4) . . . . ?
C33 P1 C21 C22 173.7(2) . . . . ?
C33 P1 C21 C26 -8.1(3) . . . . ?
C33 P1 C27 C28 -81.2(2) . . . . ?
C33 P1 C27 C32 95.4(2) . . . . ?
C33 P2 C34 C35 -134.96(19) . . . . ?
C33 P2 C34 C39 43.1(2) . . . . ?
C33 P2 C40 C41 -121.0(2) . . . . ?
C33 P2 C40 C45 62.1(2) . . . . ?
C34 P2 C33 P1 89.39(14) . . . . ?
C34 P2 C40 C41 -13.0(2) . . . . ?
C34 P2 C40 C45 170.1(2) . . . . ?
C34 C35 C36 C37 -0.2(4) . . . . ?
C35 C34 C39 C38 0.7(4) . . . . ?
C35 C36 C37 C38 1.2(4) . . . . ?
C36 C37 C38 C39 -1.2(4) . . . . ?
C37 C38 C39 C34 0.3(4) . . . . ?
C39 C34 C35 C36 -0.7(4) . . . . ?
C40 P2 C33 P1 -161.98(13) . . . . ?
C40 P2 C34 C35 118.7(2) . . . . ?
C40 P2 C34 C39 -63.2(2) . . . . ?
C40 C41 C42 C43 -0.5(4) . . . . ?
C41 C40 C45 C44 3.1(4) . . . . ?
C41 C42 C43 C44 1.9(4) . . . . ?
C42 C43 C44 C45 -0.9(4) . . . . ?
C43 C44 C45 C40 -1.7(5) . . . . ?
C45 C40 C41 C42 -2.0(4) . . . . ?
C46 C47 C48 C49 -1.1(5) . . . . ?
C47 C46 C51 P3 -175.5(2) . . . . ?
C47 C46 C51 C50 1.5(4) . . . . ?
C47 C48 C49 C50 1.7(4) . . . . ?
C48 C49 C50 C51 -0.7(4) . . . . ?
C49 C50 C51 P3 175.9(2) . . . . ?
C49 C50 C51 C46 -0.9(4) . . . . ?
C51 P3 C52 C53 33.7(2) . . . . ?
C51 P3 C52 C57 -146.2(2) . . . . ?
C51 P3 C58 P4 153.92(13) . . . . ?
C51 C46 C47 C48 -0.5(4) . . . . ?
C52 P3 C51 C46 96.1(2) . . . . ?
C52 P3 C51 C50 -80.7(2) . . . . ?
C52 P3 C58 P4 -99.36(14) . . . . ?
C52 C53 C54 C55 -1.4(5) . . . . ?
C53 C52 C57 C56 0.6(4) . . . . ?
C53 C54 C55 C56 -0.3(5) . . . . ?
C54 C55 C56 C57 2.1(4) . . . . ?
C55 C56 C57 C52 -2.2(4) . . . . ?
C57 C52 C53 C54 1.2(4) . . . . ?
C58 P3 C51 C46 -156.6(2) . . . . ?
C58 P3 C51 C50 26.6(2) . . . . ?
C58 P3 C52 C53 -71.7(2) . . . . ?
C58 P3 C52 C57 108.4(2) . . . . ?
C58 P4 C64 C59 -4.8(3) . . . . ?
C58 P4 C64 C63 177.2(2) . . . . ?
C58 P4 C70 C65 74.3(2) . . . . ?
C58 P4 C70 C69 -102.7(2) . . . . ?
C59 C60 C61 C62 -0.9(5) . . . . ?
C60 C59 C64 P4 -177.7(3) . . . . ?
C60 C59 C64 C63 0.3(5) . . . . ?
C60 C61 C62 C63 0.5(5) . . . . ?
C61 C62 C63 C64 0.4(4) . . . . ?
C62 C63 C64 P4 177.3(2) . . . . ?
C62 C63 C64 C59 -0.8(4) . . . . ?
C64 P4 C58 P3 -176.35(13) . . . . ?
C64 P4 C70 C65 -34.5(2) . . . . ?
C64 P4 C70 C69 148.4(2) . . . . ?
C64 C59 C60 C61 0.5(6) . . . . ?
C65 C66 C67 C68 0.3(4) . . . . ?
C66 C65 C70 P4 -177.9(2) . . . . ?
C66 C65 C70 C69 -0.7(4) . . . . ?
C66 C67 C68 C69 -1.2(4) . . . . ?
C67 C68 C69 C70 1.2(4) . . . . ?
C68 C69 C70 P4 176.9(2) . . . . ?
C68 C69 C70 C65 -0.2(4) . . . . ?
C70 P4 C58 P3 74.60(15) . . . . ?
C70 P4 C64 C59 104.2(3) . . . . ?
C70 P4 C64 C63 -73.8(2) . . . . ?
C70 C65 C66 C67 0.6(4) . . . . ?
