#------------------------------------------------------------------------------
#$Date: 2023-10-11 01:55:58 +0300 (Wed, 11 Oct 2023) $
#$Revision: 286882 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/41/7714176.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_7714176
loop_
_publ_author_name
'Paskaruk, Katia M.'
'Emslie, David J. H.'
'Britten, James F.'
_publ_section_title
;
 A comparison of the coordination behaviour of
 R₂PCH₂BMe₂ (R = Me vs. Ph)
 ambiphilic ligands with late transition metals.
;
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_paper_doi               10.1039/d3dt02538a
_journal_year                    2023
_chemical_formula_moiety         'C32 H42 B2 P2 Pt'
_chemical_formula_sum            'C32 H42 B2 P2 Pt'
_chemical_formula_weight         705.30
_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             2023-07-04
_audit_creation_method
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_audit_update_record
;
2023-07-18 deposited with the CCDC.	2023-10-03 downloaded from the CCDC.
;
_cell_angle_alpha                94.987(10)
_cell_angle_beta                 94.534(19)
_cell_angle_gamma                114.87(2)
_cell_formula_units_Z            2
_cell_length_a                   10.219(4)
_cell_length_b                   10.720(3)
_cell_length_c                   15.553(3)
_cell_measurement_reflns_used    4225
_cell_measurement_temperature    100.0(1)
_cell_measurement_theta_max      28.63
_cell_measurement_theta_min      2.432
_cell_volume                     1527.3(8)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100.0(1)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'STOE IPDS II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0241
_diffrn_reflns_av_unetI/netI     0.0372
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            18668
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.631
_diffrn_reflns_theta_min         2.113
_diffrn_source_current           90.0
_diffrn_source_power             4.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.718
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.5568
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0590 before and 0.0245 after correction.
The Ratio of minimum to maximum transmission is 0.7465.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.534
_exptl_crystal_description       block
_exptl_crystal_F_000             704
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.595
_refine_diff_density_min         -1.480
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     340
_refine_ls_number_reflns         8529
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0276
_refine_ls_R_factor_gt           0.0234
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0268P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0506
_refine_ls_wR_factor_ref         0.0510
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7514
_reflns_number_total             8529
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt02538a3.cif
_cod_data_source_block           PtMe2(PhPB)2
_cod_original_cell_volume        1527.2(8)
_cod_database_code               7714176
_shelx_shelxl_version_number     2019/1
_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   0.484
_shelx_estimated_absorpt_t_min   0.289
_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
2.a Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C30(H30A,H30B)
2.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C10(H10), C11(H11), C12(H12),
 C13(H13), C14(H14), C19(H19), C20(H20), C21(H21), C22(H22), C23(H23), C25(H25),
  C26(H26), C27(H27), C28(H28), C29(H29)
2.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C),
 C31(H31A,H31B,H31C), C32(H32A,H32B,H32C)
;
_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 0.19691(2) 0.15620(2) 0.72563(2) 0.01258(3) Uani 1 1 d . . . . .
P1 P 0.20619(7) 0.31607(7) 0.83623(4) 0.01321(12) Uani 1 1 d . . . . .
P2 P 0.33465(7) 0.30907(7) 0.63735(4) 0.01400(12) Uani 1 1 d . . . . .
C1 C 0.0764(3) 0.0013(3) 0.79860(17) 0.0207(5) Uani 1 1 d . . . . .
H1A H -0.023184 -0.050059 0.769070 0.031 Uiso 1 1 calc R U . . .
H1B H 0.074349 0.043960 0.856510 0.031 Uiso 1 1 calc R U . . .
H1C H 0.121653 -0.062568 0.804351 0.031 Uiso 1 1 calc R U . . .
C2 C 0.1783(4) -0.0130(3) 0.63970(17) 0.0266(7) Uani 1 1 d . . . . .
H2A H 0.135076 -0.097972 0.666851 0.040 Uiso 1 1 calc R U . . .
H2B H 0.274897 0.000798 0.625740 0.040 Uiso 1 1 calc R U . . .
H2C H 0.116092 -0.021364 0.586175 0.040 Uiso 1 1 calc R U . . .
C3 C 0.2553(3) 0.4977(3) 0.82066(15) 0.0150(5) Uani 1 1 d . . . . .
C4 C 0.1480(3) 0.5321(3) 0.78227(16) 0.0178(5) Uani 1 1 d . . . . .
H4 H 0.050852 0.462598 0.768724 0.021 Uiso 1 1 calc R U . . .
C5 C 0.1811(3) 0.6658(3) 0.76368(16) 0.0203(5) Uani 1 1 d . . . . .
H5 H 0.107028 0.686998 0.737545 0.024 Uiso 1 1 calc R U . . .
C6 C 0.3224(3) 0.7681(3) 0.78336(17) 0.0226(6) Uani 1 1 d . . . . .
H6 H 0.345387 0.859669 0.770940 0.027 Uiso 1 1 calc R U . . .
C7 C 0.4303(3) 0.7363(3) 0.82128(19) 0.0252(6) Uani 1 1 d . . . . .
H7 H 0.527251 0.806318 0.834576 0.030 Uiso 1 1 calc R U . . .
C8 C 0.3972(3) 0.6015(3) 0.84007(17) 0.0197(5) Uani 1 1 d . . . . .
H8 H 0.471662 0.580737 0.866141 0.024 Uiso 1 1 calc R U . . .
C9 C 0.0350(3) 0.2789(3) 0.88191(16) 0.0178(5) Uani 1 1 d . . . . .
C10 C 0.0351(3) 0.3412(3) 0.96463(18) 0.0266(6) Uani 1 1 d . . . . .
H10 H 0.124763 0.403193 0.998002 0.032 Uiso 1 1 calc R U . . .
C11 C -0.0942(4) 0.3136(4) 0.9984(2) 0.0361(8) Uani 1 1 d . . . . .
H11 H -0.093005 0.355779 1.054957 0.043 Uiso 1 1 calc R U . . .
C12 C -0.2252(4) 0.2245(4) 0.9498(2) 0.0371(8) Uani 1 1 d . . . . .
H12 H -0.313815 0.204197 0.973313 0.044 Uiso 1 1 calc R U . . .
C13 C -0.2269(3) 0.1653(3) 0.8674(2) 0.0325(7) Uani 1 1 d . . . . .
H13 H -0.317195 0.106674 0.833421 0.039 Uiso 1 1 calc R U . . .
C14 C -0.0974(3) 0.1905(3) 0.83319(19) 0.0226(6) Uani 1 1 d . . . . .
H14 H -0.099496 0.147362 0.776758 0.027 Uiso 1 1 calc R U . . .
C15 C 0.3348(3) 0.3294(3) 0.93016(16) 0.0180(5) Uani 1 1 d . . . . .
H15A H 0.434271 0.367080 0.913369 0.022 Uiso 1 1 calc R U . . .
H15B H 0.332687 0.395876 0.977794 0.022 Uiso 1 1 calc R U . . .
C16 C 0.3796(3) 0.0961(3) 0.93565(19) 0.0266(6) Uani 1 1 d . . . . .
H16A H 0.424808 0.127943 0.883570 0.040 Uiso 1 1 calc R U . . .
H16B H 0.309335 -0.001494 0.922301 0.040 Uiso 1 1 calc R U . . .
H16C H 0.454793 0.105837 0.982368 0.040 Uiso 1 1 calc R U . . .
C17 C 0.1994(3) 0.1396(3) 1.03822(17) 0.0248(6) Uani 1 1 d . . . . .
H17A H 0.247667 0.201654 1.092550 0.037 Uiso 1 1 calc R U . . .
H17B H 0.179977 0.044218 1.047017 0.037 Uiso 1 1 calc R U . . .
H17C H 0.107520 0.144278 1.020821 0.037 Uiso 1 1 calc R U . . .
C18 C 0.3773(3) 0.2315(3) 0.53980(16) 0.0182(5) Uani 1 1 d . . . . .
C19 C 0.5150(3) 0.2377(3) 0.53223(18) 0.0241(6) Uani 1 1 d . . . . .
H19 H 0.592389 0.287301 0.577790 0.029 Uiso 1 1 calc R U . . .
C20 C 0.5399(4) 0.1714(3) 0.4581(2) 0.0346(7) Uani 1 1 d . . . . .
H20 H 0.634149 0.176503 0.453407 0.041 Uiso 1 1 calc R U . . .
C21 C 0.4283(4) 0.0987(3) 0.39197(19) 0.0349(8) Uani 1 1 d . . . . .
H21 H 0.445483 0.053399 0.341822 0.042 Uiso 1 1 calc R U . . .
C22 C 0.2911(4) 0.0915(3) 0.39840(17) 0.0271(6) Uani 1 1 d . . . . .
H22 H 0.213921 0.041166 0.352834 0.032 Uiso 1 1 calc R U . . .
C23 C 0.2667(3) 0.1583(3) 0.47172(16) 0.0220(6) Uani 1 1 d . . . . .
H23 H 0.172536 0.153828 0.475488 0.026 Uiso 1 1 calc R U . . .
C24 C 0.5153(3) 0.4258(3) 0.69386(16) 0.0160(5) Uani 1 1 d . . . . .
C25 C 0.5807(3) 0.3728(3) 0.75401(17) 0.0206(5) Uani 1 1 d . . . . .
H25 H 0.531956 0.278706 0.763438 0.025 Uiso 1 1 calc R U . . .
C26 C 0.7174(3) 0.4576(3) 0.80031(18) 0.0253(6) Uani 1 1 d . . . . .
H26 H 0.761685 0.420632 0.840528 0.030 Uiso 1 1 calc R U . . .
C27 C 0.7881(3) 0.5950(3) 0.78769(17) 0.0230(6) Uani 1 1 d . . . . .
H27 H 0.880564 0.652864 0.819466 0.028 Uiso 1 1 calc R U . . .
C28 C 0.7232(3) 0.6480(3) 0.72830(17) 0.0233(6) Uani 1 1 d . . . . .
H28 H 0.771488 0.742585 0.719747 0.028 Uiso 1 1 calc R U . . .
C29 C 0.5886(3) 0.5642(3) 0.68140(17) 0.0202(5) Uani 1 1 d . . . . .
H29 H 0.546018 0.601452 0.640399 0.024 Uiso 1 1 calc R U . . .
C30 C 0.2664(3) 0.4241(3) 0.58923(16) 0.0171(5) Uani 1 1 d . . . . .
H30A H 0.274588 0.496291 0.636337 0.021 Uiso 1 1 calc R U . . .
H30B H 0.332794 0.471729 0.547414 0.021 Uiso 1 1 calc R U . . .
C31 C -0.0261(3) 0.2613(3) 0.58272(18) 0.0251(6) Uani 1 1 d . . . . .
H31A H 0.006567 0.213951 0.624667 0.038 Uiso 1 1 calc R U . . .
H31B H -0.098402 0.192345 0.537181 0.038 Uiso 1 1 calc R U . . .
H31C H -0.069889 0.315599 0.612659 0.038 Uiso 1 1 calc R U . . .
C32 C 0.0817(3) 0.4035(3) 0.44914(18) 0.0286(7) Uani 1 1 d . . . . .
H32A H 0.144974 0.502165 0.449398 0.043 Uiso 1 1 calc R U . . .
H32B H -0.020114 0.387087 0.436475 0.043 Uiso 1 1 calc R U . . .
H32C H 0.104817 0.348355 0.404432 0.043 Uiso 1 1 calc R U . . .
B1 B 0.3002(3) 0.1850(3) 0.96530(19) 0.0203(6) Uani 1 1 d . . . . .
B2 B 0.1066(4) 0.3600(3) 0.54076(19) 0.0194(6) Uani 1 1 d . . . . .
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'
B B 0.0013 0.0007 '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 P2 97.87(3) . . ?
C1 Pt1 P1 87.83(8) . . ?
C1 Pt1 P2 173.96(8) . . ?
C2 Pt1 P1 170.49(8) . . ?
C2 Pt1 P2 91.18(8) . . ?
C2 Pt1 C1 83.03(11) . . ?
C3 P1 Pt1 121.66(8) . . ?
C3 P1 C9 98.51(12) . . ?
C3 P1 C15 103.66(12) . . ?
C9 P1 Pt1 115.88(9) . . ?
C15 P1 Pt1 110.91(9) . . ?
C15 P1 C9 104.07(12) . . ?
C18 P2 Pt1 116.05(9) . . ?
C24 P2 Pt1 111.65(8) . . ?
C24 P2 C18 102.59(12) . . ?
C24 P2 C30 104.59(12) . . ?
C30 P2 Pt1 119.45(9) . . ?
C30 P2 C18 100.49(12) . . ?
Pt1 C1 H1A 109.5 . . ?
Pt1 C1 H1B 109.5 . . ?
Pt1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Pt1 C2 H2A 109.5 . . ?
Pt1 C2 H2B 109.5 . . ?
Pt1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C3 P1 118.81(19) . . ?
C8 C3 P1 122.7(2) . . ?
C8 C3 C4 118.3(2) . . ?
C3 C4 H4 119.4 . . ?
C5 C4 C3 121.3(2) . . ?
C5 C4 H4 119.4 . . ?
C4 C5 H5 120.1 . . ?
C6 C5 C4 119.9(3) . . ?
C6 C5 H5 120.1 . . ?
C5 C6 H6 120.1 . . ?
C5 C6 C7 119.8(2) . . ?
C7 C6 H6 120.1 . . ?
C6 C7 H7 119.8 . . ?
C6 C7 C8 120.4(3) . . ?
C8 C7 H7 119.8 . . ?
C3 C8 C7 120.3(3) . . ?
C3 C8 H8 119.8 . . ?
C7 C8 H8 119.8 . . ?
C10 C9 P1 120.9(2) . . ?
C14 C9 P1 120.1(2) . . ?
C14 C9 C10 119.0(3) . . ?
C9 C10 H10 119.7 . . ?
C11 C10 C9 120.6(3) . . ?
C11 C10 H10 119.7 . . ?
C10 C11 H11 120.0 . . ?
C12 C11 C10 120.0(3) . . ?
C12 C11 H11 120.0 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 120.0(3) . . ?
C13 C12 H12 120.0 . . ?
C12 C13 H13 119.7 . . ?
C12 C13 C14 120.6(3) . . ?
C14 C13 H13 119.7 . . ?
C9 C14 C13 119.9(3) . . ?
C9 C14 H14 120.1 . . ?
C13 C14 H14 120.1 . . ?
P1 C15 H15A 108.9 . . ?
P1 C15 H15B 108.9 . . ?
H15A C15 H15B 107.7 . . ?
B1 C15 P1 113.38(18) . . ?
B1 C15 H15A 108.9 . . ?
B1 C15 H15B 108.9 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
B1 C16 H16A 109.5 . . ?
B1 C16 H16B 109.5 . . ?
B1 C16 H16C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
B1 C17 H17A 109.5 . . ?
B1 C17 H17B 109.5 . . ?
B1 C17 H17C 109.5 . . ?
C19 C18 P2 122.8(2) . . ?
C23 C18 P2 118.9(2) . . ?
C23 C18 C19 118.2(2) . . ?
C18 C19 H19 119.7 . . ?
C18 C19 C20 120.5(3) . . ?
C20 C19 H19 119.7 . . ?
C19 C20 H20 119.9 . . ?
C21 C20 C19 120.1(3) . . ?
C21 C20 H20 119.9 . . ?
C20 C21 H21 119.9 . . ?
C20 C21 C22 120.1(3) . . ?
C22 C21 H21 119.9 . . ?
C21 C22 H22 120.1 . . ?
C21 C22 C23 119.7(3) . . ?
C23 C22 H22 120.1 . . ?
C18 C23 H23 119.3 . . ?
C22 C23 C18 121.3(3) . . ?
C22 C23 H23 119.3 . . ?
C25 C24 P2 117.7(2) . . ?
C29 C24 P2 123.5(2) . . ?
C29 C24 C25 118.7(2) . . ?
C24 C25 H25 119.8 . . ?
C26 C25 C24 120.4(3) . . ?
C26 C25 H25 119.8 . . ?
C25 C26 H26 119.9 . . ?
C27 C26 C25 120.1(3) . . ?
C27 C26 H26 119.9 . . ?
C26 C27 H27 120.2 . . ?
C26 C27 C28 119.6(3) . . ?
C28 C27 H27 120.2 . . ?
C27 C28 H28 119.7 . . ?
C29 C28 C27 120.6(3) . . ?
C29 C28 H28 119.7 . . ?
C24 C29 H29 119.7 . . ?
C28 C29 C24 120.5(2) . . ?
C28 C29 H29 119.7 . . ?
P2 C30 H30A 107.6 . . ?
P2 C30 H30B 107.6 . . ?
H30A C30 H30B 107.0 . . ?
B2 C30 P2 118.96(19) . . ?
B2 C30 H30A 107.6 . . ?
B2 C30 H30B 107.6 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
B2 C31 H31A 109.5 . . ?
B2 C31 H31B 109.5 . . ?
B2 C31 H31C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
B2 C32 H32A 109.5 . . ?
B2 C32 H32B 109.5 . . ?
B2 C32 H32C 109.5 . . ?
C16 B1 C15 120.6(3) . . ?
C16 B1 C17 119.0(2) . . ?
C17 B1 C15 120.1(3) . . ?
C31 B2 C30 122.1(2) . . ?
C31 B2 C32 119.9(3) . . ?
C32 B2 C30 118.0(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 P1 2.2869(8) . ?
Pt1 P2 2.3040(9) . ?
Pt1 C1 2.096(3) . ?
Pt1 C2 2.088(3) . ?
P1 C3 1.839(3) . ?
P1 C9 1.839(3) . ?
P1 C15 1.839(3) . ?
P2 C18 1.837(3) . ?
P2 C24 1.832(3) . ?
P2 C30 1.835(3) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.403(4) . ?
C3 C8 1.395(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.390(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.386(4) . ?
C6 H6 0.9500 . ?
C6 C7 1.389(4) . ?
C7 H7 0.9500 . ?
C7 C8 1.402(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.397(4) . ?
C9 C14 1.392(4) . ?
C10 H10 0.9500 . ?
C10 C11 1.385(4) . ?
C11 H11 0.9500 . ?
C11 C12 1.384(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.375(5) . ?
C13 H13 0.9500 . ?
C13 C14 1.393(4) . ?
C14 H14 0.9500 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 B1 1.593(4) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C16 B1 1.554(4) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C17 B1 1.563(4) . ?
C18 C19 1.395(4) . ?
C18 C23 1.391(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.398(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.376(5) . ?
C21 H21 0.9500 . ?
C21 C22 1.384(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.388(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.399(4) . ?
C24 C29 1.392(4) . ?
C25 H25 0.9500 . ?
C25 C26 1.398(4) . ?
C26 H26 0.9500 . ?
C26 C27 1.381(4) . ?
C27 H27 0.9500 . ?
C27 C28 1.388(4) . ?
C28 H28 0.9500 . ?
C28 C29 1.385(4) . ?
C29 H29 0.9500 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 B2 1.575(4) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C31 B2 1.561(4) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C32 B2 1.572(4) . ?
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 C3 C4 81.6(2) . . . . ?
Pt1 P1 C3 C8 -94.0(2) . . . . ?
Pt1 P1 C9 C10 159.73(19) . . . . ?
Pt1 P1 C9 C14 -22.0(2) . . . . ?
Pt1 P1 C15 B1 -55.9(2) . . . . ?
Pt1 P2 C18 C19 -106.0(2) . . . . ?
Pt1 P2 C18 C23 71.3(2) . . . . ?
Pt1 P2 C24 C25 34.5(2) . . . . ?
Pt1 P2 C24 C29 -144.0(2) . . . . ?
Pt1 P2 C30 B2 -49.7(2) . . . . ?
P1 C3 C4 C5 -175.72(19) . . . . ?
P1 C3 C8 C7 175.6(2) . . . . ?
P1 C9 C10 C11 179.5(2) . . . . ?
P1 C9 C14 C13 -178.5(2) . . . . ?
P1 C15 B1 C16 96.1(3) . . . . ?
P1 C15 B1 C17 -91.1(3) . . . . ?
P2 C18 C19 C20 177.1(2) . . . . ?
P2 C18 C23 C22 -176.7(2) . . . . ?
P2 C24 C25 C26 -178.9(2) . . . . ?
P2 C24 C29 C28 178.0(2) . . . . ?
P2 C30 B2 C31 49.7(3) . . . . ?
P2 C30 B2 C32 -133.0(2) . . . . ?
C3 P1 C9 C10 -68.8(2) . . . . ?
C3 P1 C9 C14 109.5(2) . . . . ?
C3 P1 C15 B1 171.96(19) . . . . ?
C3 C4 C5 C6 -0.2(4) . . . . ?
C4 C3 C8 C7 -0.1(4) . . . . ?
C4 C5 C6 C7 0.2(4) . . . . ?
C5 C6 C7 C8 -0.2(4) . . . . ?
C6 C7 C8 C3 0.1(4) . . . . ?
C8 C3 C4 C5 0.1(4) . . . . ?
C9 P1 C3 C4 -46.0(2) . . . . ?
C9 P1 C3 C8 138.4(2) . . . . ?
C9 P1 C15 B1 69.4(2) . . . . ?
C9 C10 C11 C12 -0.6(5) . . . . ?
C10 C9 C14 C13 -0.2(4) . . . . ?
C10 C11 C12 C13 -1.1(5) . . . . ?
C11 C12 C13 C14 2.2(5) . . . . ?
C12 C13 C14 C9 -1.5(4) . . . . ?
C14 C9 C10 C11 1.2(4) . . . . ?
C15 P1 C3 C4 -152.81(19) . . . . ?
C15 P1 C3 C8 31.6(2) . . . . ?
C15 P1 C9 C10 37.7(2) . . . . ?
C15 P1 C9 C14 -144.0(2) . . . . ?
C18 P2 C24 C25 -90.4(2) . . . . ?
C18 P2 C24 C29 91.0(2) . . . . ?
C18 P2 C30 B2 78.5(2) . . . . ?
C18 C19 C20 C21 -0.3(5) . . . . ?
C19 C18 C23 C22 0.7(4) . . . . ?
C19 C20 C21 C22 0.3(5) . . . . ?
C20 C21 C22 C23 0.2(4) . . . . ?
C21 C22 C23 C18 -0.7(4) . . . . ?
C23 C18 C19 C20 -0.2(4) . . . . ?
C24 P2 C18 C19 16.0(2) . . . . ?
C24 P2 C18 C23 -166.7(2) . . . . ?
C24 P2 C30 B2 -175.4(2) . . . . ?
C24 C25 C26 C27 0.8(4) . . . . ?
C25 C24 C29 C28 -0.6(4) . . . . ?
C25 C26 C27 C28 -0.5(4) . . . . ?
C26 C27 C28 C29 -0.3(4) . . . . ?
C27 C28 C29 C24 0.8(4) . . . . ?
C29 C24 C25 C26 -0.2(4) . . . . ?
C30 P2 C18 C19 123.7(2) . . . . ?
C30 P2 C18 C23 -59.0(2) . . . . ?
C30 P2 C24 C25 165.1(2) . . . . ?
C30 P2 C24 C29 -13.5(3) . . . . ?
