#------------------------------------------------------------------------------
#$Date: 2019-01-31 05:00:37 +0200 (Thu, 31 Jan 2019) $
#$Revision: 213400 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/22/7232267.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_7232267
loop_
_publ_author_name
'Drescher (née Oschmann), Wiebke'
'Borner, Corinna'
'Tindall, Daniel J.'
'Kleeberg, Christian'
_publ_section_title
;
 Exploring unsymmetrical diboranes(4) as boryl ligand precursors:
 platinum(ii) bis-boryl complexes
;
_journal_issue                   7
_journal_name_full               'RSC Advances'
_journal_page_first              3900
_journal_paper_doi               10.1039/C9RA00170K
_journal_volume                  9
_journal_year                    2019
_chemical_formula_moiety         'C46 H44 B2 N2 O2 P2 Pt, C6H6'
_chemical_formula_sum            'C52 H50 B2 N2 O2 P2 Pt'
_chemical_formula_weight         1013.59
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2018-11-27 deposited with the CCDC.
2019-01-24 downloaded from the CCDC.
;
_cell_angle_alpha                94.470(3)
_cell_angle_beta                 96.674(4)
_cell_angle_gamma                114.620(4)
_cell_formula_units_Z            2
_cell_length_a                   9.9026(5)
_cell_length_b                   11.8550(5)
_cell_length_c                   21.5121(9)
_cell_measurement_reflns_used    29510
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.90
_cell_measurement_theta_min      2.74
_cell_volume                     2257.84(19)
_computing_cell_refinement
;
 CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
;
_computing_data_collection
;
 CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
;
_computing_data_reduction
;
 CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
;
_computing_molecular_graphics
;
 K. Brandenburg, 2017, Diamond 4.4.1, Crystal Impact GbR, Bonn, Germany.
;
_computing_publication_material
;
 WinGX v2014.1 (L. J. Farrugia, J. Appl. Cryst., 2012, 45, 849-854.)
;
_computing_structure_refinement
;
 SHELXL-2017/1 (G. M. Sheldrick, Acta Cryst., 2015, C71, 3--8)
;
_computing_structure_solution
;
 SHELXT (Ver. 2014/5) (G. M. Sheldrick, Acta Cryst., 2015, A71, 3--8)
;
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.1419
_diffrn_detector_type            EOS
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.914
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Oxford Diffraction, Xcalibur, EOS'
_diffrn_measurement_method       ω-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0315
_diffrn_reflns_av_unetI/netI     0.0249
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.914
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            65840
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.914
_diffrn_reflns_theta_full        29.000
_diffrn_reflns_theta_max         30.975
_diffrn_reflns_theta_min         2.255
_exptl_absorpt_coefficient_mu    3.221
_exptl_absorpt_correction_T_max  0.554
_exptl_absorpt_correction_T_min  0.286
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
 CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
 Analytical numeric absorption correction using a multifaceted crystal
 model based on expressions derived by R.C. Clark & J.S. Reid.
 (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
 Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light orange'
_exptl_crystal_density_diffrn    1.491
_exptl_crystal_description       prism
_exptl_crystal_F_000             1020
_exptl_crystal_recrystallization_method
;
 Diffusion of n-henxane in C6H6 and slow evaporatoin at ambient temperature.
;
_exptl_crystal_size_max          0.530
_exptl_crystal_size_mid          0.251
_exptl_crystal_size_min          0.246
_refine_diff_density_max         0.518
_refine_diff_density_min         -1.035
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     552
_refine_ls_number_reflns         13137
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.0207
_refine_ls_R_factor_gt           0.0189
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0082P)²+1.5997P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0379
_refine_ls_wR_factor_ref         0.0385
_reflns_number_gt                12617
_reflns_number_total             13137
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9ra00170k2.cif
_cod_data_source_block           wo33wo
_cod_database_code               7232267
_shelx_shelxl_version_number     2017/1
_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.
;
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
C1 C 0.4062(2) -0.09920(15) 0.26629(9) 0.0198(4) Uani 1 1 d . .
H1A H 0.462533 -0.125396 0.298667 0.024 Uiso 1 1 calc R U
H1B H 0.346234 -0.171440 0.233029 0.024 Uiso 1 1 calc R U
C2 C 0.3048(2) -0.04957(15) 0.29598(9) 0.0184(3) Uani 1 1 d . .
H2A H 0.204851 -0.081224 0.269042 0.022 Uiso 1 1 calc R U
H2B H 0.291087 -0.074942 0.338418 0.022 Uiso 1 1 calc R U
C3 C 0.6261(2) -0.00778(17) 0.21124(9) 0.0201(4) Uani 1 1 d . .
H3A H 0.686233 0.069681 0.195107 0.030 Uiso 1 1 calc R U
H3B H 0.581296 -0.077229 0.176332 0.030 Uiso 1 1 calc R U
H3C H 0.690849 -0.025740 0.243084 0.030 Uiso 1 1 calc R U
C4 C 0.3079(2) 0.15821(17) 0.32078(9) 0.0208(4) Uani 1 1 d . .
H4A H 0.371853 0.247613 0.321551 0.031 Uiso 1 1 calc R U
H4B H 0.285554 0.142241 0.363297 0.031 Uiso 1 1 calc R U
H4C H 0.213629 0.133731 0.291533 0.031 Uiso 1 1 calc R U
C5 C 0.88259(18) 0.21228(15) 0.39269(8) 0.0150(3) Uani 1 1 d . .
C6 C 0.84322(19) 0.29423(16) 0.42704(8) 0.0165(3) Uani 1 1 d . .
C7 C 0.8816(2) 0.32208(19) 0.49166(9) 0.0237(4) Uani 1 1 d . .
H7 H 0.854564 0.378579 0.515093 0.028 Uiso 1 1 calc R U
C8 C 0.9623(2) 0.26314(19) 0.52107(9) 0.0257(4) Uani 1 1 d . .
H8 H 0.990260 0.279448 0.565751 0.031 Uiso 1 1 calc R U
C9 C 1.0028(2) 0.18139(18) 0.48692(9) 0.0242(4) Uani 1 1 d . .
H9 H 1.057816 0.142972 0.508630 0.029 Uiso 1 1 calc R U
C10 C 0.9643(2) 0.15451(16) 0.42114(9) 0.0196(3) Uani 1 1 d . .
H10 H 0.992724 0.099506 0.397265 0.024 Uiso 1 1 calc R U
C11 C 1.01400(17) 0.51675(15) 0.28181(8) 0.0127(3) Uani 1 1 d . .
C12 C 1.04856(19) 0.41434(16) 0.27300(9) 0.0175(3) Uani 1 1 d . .
H12 H 0.979917 0.340555 0.245773 0.021 Uiso 1 1 calc R U
C13 C 1.1830(2) 0.42004(18) 0.30393(10) 0.0240(4) Uani 1 1 d . .
H13 H 1.205847 0.350114 0.297706 0.029 Uiso 1 1 calc R U
C14 C 1.2836(2) 0.52688(19) 0.34369(9) 0.0245(4) Uani 1 1 d . .
H14 H 1.374560 0.529848 0.365259 0.029 Uiso 1 1 calc R U
C15 C 1.2515(2) 0.62971(18) 0.35206(9) 0.0223(4) Uani 1 1 d . .
H15 H 1.321130 0.703547 0.378977 0.027 Uiso 1 1 calc R U
C16 C 1.11729(19) 0.62494(16) 0.32107(8) 0.0168(3) Uani 1 1 d . .
H16 H 1.096042 0.695820 0.326714 0.020 Uiso 1 1 calc R U
C17 C 0.80609(17) 0.62774(14) 0.28539(7) 0.0117(3) Uani 1 1 d . .
C18 C 0.71897(18) 0.60094(15) 0.33344(8) 0.0149(3) Uani 1 1 d . .
H18 H 0.672433 0.517555 0.342755 0.018 Uiso 1 1 calc R U
C19 C 0.70018(19) 0.69643(16) 0.36778(8) 0.0184(3) Uani 1 1 d . .
H19 H 0.640571 0.677895 0.400433 0.022 Uiso 1 1 calc R U
C20 C 0.7680(2) 0.81845(17) 0.35458(9) 0.0204(4) Uani 1 1 d . .
H20 H 0.753763 0.883028 0.377802 0.024 Uiso 1 1 calc R U
C21 C 0.8566(2) 0.84622(16) 0.30750(9) 0.0196(4) Uani 1 1 d . .
H21 H 0.904035 0.929948 0.298747 0.024 Uiso 1 1 calc R U
C22 C 0.87599(18) 0.75148(15) 0.27318(8) 0.0151(3) Uani 1 1 d . .
H22 H 0.937247 0.770840 0.241114 0.018 Uiso 1 1 calc R U
C23 C 0.87538(17) 0.55728(14) 0.16714(8) 0.0124(3) Uani 1 1 d . .
C24 C 0.99084(19) 0.54624(16) 0.13898(8) 0.0174(3) Uani 1 1 d . .
H24 H 1.054490 0.515400 0.160871 0.021 Uiso 1 1 calc R U
C25 C 1.0129(2) 0.58016(17) 0.07916(8) 0.0214(4) Uani 1 1 d . .
H25 H 1.090953 0.571683 0.060330 0.026 Uiso 1 1 calc R U
C26 C 0.9217(2) 0.62620(17) 0.04695(8) 0.0217(4) Uani 1 1 d . .
H26 H 0.936356 0.648370 0.005942 0.026 Uiso 1 1 calc R U
C27 C 0.80901(19) 0.63980(16) 0.07474(8) 0.0178(3) Uani 1 1 d . .
H27 H 0.747615 0.672896 0.053062 0.021 Uiso 1 1 calc R U
C28 C 0.78546(18) 0.60526(15) 0.13416(8) 0.0141(3) Uani 1 1 d . .
H28 H 0.707329 0.614303 0.152659 0.017 Uiso 1 1 calc R U
C29 C 0.43697(17) 0.41687(14) 0.14285(8) 0.0114(3) Uani 1 1 d . .
C30 C 0.43946(18) 0.49046(15) 0.19720(8) 0.0135(3) Uani 1 1 d . .
H30 H 0.454842 0.466221 0.237511 0.016 Uiso 1 1 calc R U
C31 C 0.4196(2) 0.59908(16) 0.19273(8) 0.0181(3) Uani 1 1 d . .
H31 H 0.419995 0.648291 0.229853 0.022 Uiso 1 1 calc R U
C32 C 0.3990(2) 0.63548(16) 0.13391(8) 0.0182(3) Uani 1 1 d . .
H32 H 0.386028 0.709953 0.130798 0.022 Uiso 1 1 calc R U
C33 C 0.39748(19) 0.56307(15) 0.07952(8) 0.0162(3) Uani 1 1 d . .
H33 H 0.384080 0.588368 0.039320 0.019 Uiso 1 1 calc R U
C34 C 0.41554(18) 0.45376(15) 0.08401(8) 0.0143(3) Uani 1 1 d . .
H34 H 0.413269 0.403917 0.046767 0.017 Uiso 1 1 calc R U
C35 C 0.50613(19) 0.22506(14) 0.08072(8) 0.0136(3) Uani 1 1 d . .
C36 C 0.6540(2) 0.24378(16) 0.07844(9) 0.0186(3) Uani 1 1 d . .
H36 H 0.729382 0.284007 0.114675 0.022 Uiso 1 1 calc R U
C37 C 0.6915(2) 0.20371(17) 0.02322(10) 0.0249(4) Uani 1 1 d . .
H37 H 0.792618 0.217512 0.021777 0.030 Uiso 1 1 calc R U
C38 C 0.5823(2) 0.14392(17) -0.02953(9) 0.0251(4) Uani 1 1 d . .
H38 H 0.608074 0.115387 -0.066887 0.030 Uiso 1 1 calc R U
C39 C 0.4356(2) 0.12568(17) -0.02790(8) 0.0227(4) Uani 1 1 d . .
H39 H 0.361030 0.085741 -0.064417 0.027 Uiso 1 1 calc R U
C40 C 0.3966(2) 0.16547(15) 0.02692(8) 0.0172(3) Uani 1 1 d . .
H40 H 0.295416 0.152180 0.027843 0.021 Uiso 1 1 calc R U
C41 C 0.26663(18) 0.16169(15) 0.15162(8) 0.0131(3) Uani 1 1 d . .
C42 C 0.14909(19) 0.19628(17) 0.15447(9) 0.0216(4) Uani 1 1 d . .
H42 H 0.168834 0.282285 0.157524 0.026 Uiso 1 1 calc R U
C43 C 0.0022(2) 0.10542(19) 0.15289(11) 0.0297(4) Uani 1 1 d . .
H43 H -0.077078 0.130063 0.155379 0.036 Uiso 1 1 calc R U
C44 C -0.0281(2) -0.01985(18) 0.14774(10) 0.0275(4) Uani 1 1 d . .
H44 H -0.128146 -0.081415 0.146485 0.033 Uiso 1 1 calc R U
C45 C 0.0878(2) -0.05567(17) 0.14440(9) 0.0219(4) Uani 1 1 d . .
H45 H 0.067018 -0.141944 0.140452 0.026 Uiso 1 1 calc R U
C46 C 0.23447(19) 0.03445(15) 0.14682(8) 0.0162(3) Uani 1 1 d . .
H46 H 0.313563 0.009322 0.145199 0.019 Uiso 1 1 calc R U
B1 B 0.5025(2) 0.12051(16) 0.26313(9) 0.0120(3) Uani 1 1 d . .
B2 B 0.7472(2) 0.27505(17) 0.32494(9) 0.0138(3) Uani 1 1 d . .
N1 N 0.50869(16) 0.00681(13) 0.23935(7) 0.0155(3) Uani 1 1 d . .
N2 N 0.38499(16) 0.08638(12) 0.30018(7) 0.0150(3) Uani 1 1 d . .
O1 O 0.82446(13) 0.19778(11) 0.32961(5) 0.0151(2) Uani 1 1 d . .
O2 O 0.76007(13) 0.33506(11) 0.38605(6) 0.0167(2) Uani 1 1 d . .
P1 P 0.83107(4) 0.50021(4) 0.24263(2) 0.01017(7) Uani 1 1 d . .
P2 P 0.46280(4) 0.27610(4) 0.15510(2) 0.01020(7) Uani 1 1 d . .
Pt1 Pt 0.63783(2) 0.29946(2) 0.24340(2) 0.00947(2) Uani 1 1 d . .
C48 C 0.5307(2) 0.41383(18) 0.46406(9) 0.0256(4) Uani 1 1 d . .
H48 H 0.551442 0.354551 0.439537 0.031 Uiso 1 1 calc R U
C49 C 0.3836(2) 0.38961(19) 0.46949(10) 0.0271(4) Uani 1 1 d . .
H49 H 0.303309 0.313823 0.448395 0.033 Uiso 1 1 calc R U
C51 C 0.4980(2) 0.07863(18) 0.45620(10) 0.0274(4) Uani 1 1 d . .
H51 H 0.496431 0.132654 0.426030 0.033 Uiso 1 1 calc R U
C47 C 0.6472(2) 0.52441(18) 0.49437(10) 0.0263(4) Uani 1 1 d . .
H47 H 0.748250 0.541613 0.490498 0.032 Uiso 1 1 calc R U
C50 C 0.4393(2) 0.08432(19) 0.51104(10) 0.0296(4) Uani 1 1 d . .
H50 H 0.397843 0.142364 0.518613 0.036 Uiso 1 1 calc R U
C52 C 0.5588(2) -0.00533(19) 0.44521(10) 0.0270(4) Uani 1 1 d . .
H52 H 0.599270 -0.008850 0.407571 0.032 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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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
N1 C1 C2 104.27(13) . .
N2 C2 C1 104.40(13) . .
O1 C5 C10 128.27(16) . .
O1 C5 C6 109.59(14) . .
C10 C5 C6 122.11(16) . .
C7 C6 C5 121.96(16) . .
C7 C6 O2 129.10(16) . .
C5 C6 O2 108.91(14) . .
C6 C7 C8 116.54(17) . .
C9 C8 C7 121.83(18) . .
C8 C9 C10 121.17(17) . .
C5 C10 C9 116.38(17) . .
C16 C11 C12 119.03(15) . .
C16 C11 P1 122.99(12) . .
C12 C11 P1 117.95(13) . .
C13 C12 C11 120.24(17) . .
C14 C13 C12 120.35(17) . .
C13 C14 C15 119.91(17) . .
C14 C15 C16 120.10(17) . .
C15 C16 C11 120.35(16) . .
C18 C17 C22 119.15(14) . .
C18 C17 P1 118.54(12) . .
C22 C17 P1 122.26(12) . .
C19 C18 C17 119.99(15) . .
C20 C19 C18 120.36(16) . .
C21 C20 C19 120.02(16) . .
C20 C21 C22 119.88(16) . .
C21 C22 C17 120.58(16) . .
C28 C23 C24 118.35(15) . .
C28 C23 P1 119.61(12) . .
C24 C23 P1 121.89(13) . .
C25 C24 C23 120.46(16) . .
C26 C25 C24 120.35(17) . .
C25 C26 C27 119.76(17) . .
C26 C27 C28 120.25(16) . .
C27 C28 C23 120.81(16) . .
C34 C29 C30 119.35(14) . .
C34 C29 P2 124.56(12) . .
C30 C29 P2 116.09(12) . .
C31 C30 C29 120.40(15) . .
C32 C31 C30 119.85(16) . .
C31 C32 C33 120.09(15) . .
C34 C33 C32 119.98(16) . .
C33 C34 C29 120.32(15) . .
C36 C35 C40 119.12(15) . .
C36 C35 P2 118.17(13) . .
C40 C35 P2 122.69(13) . .
C37 C36 C35 120.17(17) . .
C38 C37 C36 120.34(18) . .
C39 C38 C37 119.94(17) . .
C38 C39 C40 120.34(18) . .
C39 C40 C35 120.08(17) . .
C42 C41 C46 118.63(15) . .
C42 C41 P2 122.86(13) . .
C46 C41 P2 118.50(12) . .
C41 C42 C43 120.50(17) . .
C44 C43 C42 120.27(18) . .
C43 C44 C45 119.80(17) . .
C44 C45 C46 120.14(17) . .
C45 C46 C41 120.64(16) . .
N2 B1 N1 106.64(14) . .
N2 B1 Pt1 127.84(12) . .
N1 B1 Pt1 125.49(12) . .
O2 B2 O1 108.34(14) . .
O2 B2 Pt1 125.22(12) . .
O1 B2 Pt1 126.44(12) . .
B1 N1 C3 128.27(14) . .
B1 N1 C1 110.85(14) . .
C3 N1 C1 117.81(14) . .
B1 N2 C4 128.48(14) . .
B1 N2 C2 111.07(13) . .
C4 N2 C2 116.70(14) . .
C5 O1 B2 106.39(13) . .
C6 O2 B2 106.76(13) . .
C17 P1 C11 103.47(7) . .
C17 P1 C23 102.67(7) . .
C11 P1 C23 102.15(7) . .
C17 P1 Pt1 114.37(5) . .
C11 P1 Pt1 112.16(5) . .
C23 P1 Pt1 120.04(5) . .
C29 P2 C35 105.66(7) . .
C29 P2 C41 100.67(7) . .
C35 P2 C41 101.52(7) . .
C29 P2 Pt1 114.86(5) . .
C35 P2 Pt1 113.87(6) . .
C41 P2 Pt1 118.36(5) . .
B2 Pt1 B1 73.51(7) . .
B2 Pt1 P2 164.54(5) . .
B1 Pt1 P2 91.15(5) . .
B2 Pt1 P1 92.39(5) . .
B1 Pt1 P1 165.85(5) . .
P2 Pt1 P1 102.980(14) . .
C47 C48 C49 119.82(17) . .
C48 C49 C47 120.26(19) . 2_666
C52 C51 C50 120.17(18) . .
C48 C47 C49 119.92(18) . 2_666
C52 C50 C51 119.83(18) 2_656 .
C51 C52 C50 120.00(18) . 2_656
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.460(2) .
C1 C2 1.531(2) .
C2 N2 1.460(2) .
C3 N1 1.436(2) .
C4 N2 1.437(2) .
C5 O1 1.379(2) .
C5 C10 1.382(2) .
C5 C6 1.383(2) .
C6 C7 1.374(2) .
C6 O2 1.385(2) .
C7 C8 1.394(3) .
C8 C9 1.386(3) .
C9 C10 1.397(3) .
C11 C16 1.393(2) .
C11 C12 1.397(2) .
C11 P1 1.8314(16) .
C12 C13 1.390(2) .
C13 C14 1.382(3) .
C14 C15 1.386(3) .
C15 C16 1.392(2) .
C17 C18 1.394(2) .
C17 C22 1.399(2) .
C17 P1 1.8277(16) .
C18 C19 1.392(2) .
C19 C20 1.387(3) .
C20 C21 1.386(3) .
C21 C22 1.388(2) .
C23 C28 1.399(2) .
C23 C24 1.402(2) .
C23 P1 1.8377(16) .
C24 C25 1.392(2) .
C25 C26 1.385(3) .
C26 C27 1.385(3) .
C27 C28 1.388(2) .
C29 C34 1.393(2) .
C29 C30 1.395(2) .
C29 P2 1.8243(15) .
C30 C31 1.390(2) .
C31 C32 1.388(2) .
C32 C33 1.391(2) .
C33 C34 1.389(2) .
C35 C36 1.394(2) .
C35 C40 1.399(2) .
C35 P2 1.8265(16) .
C36 C37 1.391(2) .
C37 C38 1.382(3) .
C38 C39 1.382(3) .
C39 C40 1.391(2) .
C41 C42 1.392(2) .
C41 C46 1.398(2) .
C41 P2 1.8369(16) .
C42 C43 1.398(2) .
C43 C44 1.380(3) .
C44 C45 1.388(3) .
C45 C46 1.391(2) .
B1 N2 1.424(2) .
B1 N1 1.432(2) .
B1 Pt1 2.0928(17) .
B2 O2 1.411(2) .
B2 O1 1.420(2) .
B2 Pt1 2.0571(19) .
P1 Pt1 2.3547(4) .
P2 Pt1 2.3328(4) .
C48 C47 1.381(3) .
C48 C49 1.383(3) .
C49 C47 1.388(3) 2_666
C51 C52 1.380(3) .
C51 C50 1.383(3) .
C50 C52 1.383(3) 2_656
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_4
N1 C1 C2 N2 -16.42(18) .
O1 C5 C6 C7 177.49(16) .
C10 C5 C6 C7 -0.7(3) .
O1 C5 C6 O2 -0.72(19) .
C10 C5 C6 O2 -178.95(15) .
C5 C6 C7 C8 -0.1(3) .
O2 C6 C7 C8 177.67(17) .
C6 C7 C8 C9 0.5(3) .
C7 C8 C9 C10 0.0(3) .
O1 C5 C10 C9 -176.66(16) .
C6 C5 C10 C9 1.2(3) .
C8 C9 C10 C5 -0.9(3) .
C16 C11 C12 C13 1.1(2) .
P1 C11 C12 C13 -177.12(13) .
C11 C12 C13 C14 0.1(3) .
C12 C13 C14 C15 -1.0(3) .
C13 C14 C15 C16 0.8(3) .
C14 C15 C16 C11 0.4(3) .
C12 C11 C16 C15 -1.3(2) .
P1 C11 C16 C15 176.79(13) .
C22 C17 C18 C19 1.2(2) .
P1 C17 C18 C19 178.72(13) .
C17 C18 C19 C20 -0.1(3) .
C18 C19 C20 C21 -0.8(3) .
C19 C20 C21 C22 0.7(3) .
C20 C21 C22 C17 0.4(3) .
C18 C17 C22 C21 -1.3(2) .
P1 C17 C22 C21 -178.74(13) .
C28 C23 C24 C25 -1.2(2) .
P1 C23 C24 C25 174.26(13) .
C23 C24 C25 C26 0.5(3) .
C24 C25 C26 C27 0.7(3) .
C25 C26 C27 C28 -1.2(3) .
C26 C27 C28 C23 0.5(3) .
C24 C23 C28 C27 0.7(2) .
P1 C23 C28 C27 -174.88(12) .
C34 C29 C30 C31 0.5(2) .
P2 C29 C30 C31 -179.48(13) .
C29 C30 C31 C32 -0.8(3) .
C30 C31 C32 C33 0.4(3) .
C31 C32 C33 C34 0.4(3) .
C32 C33 C34 C29 -0.7(3) .
C30 C29 C34 C33 0.3(2) .
P2 C29 C34 C33 -179.73(13) .
C40 C35 C36 C37 0.1(2) .
P2 C35 C36 C37 178.47(13) .
C35 C36 C37 C38 -0.7(3) .
C36 C37 C38 C39 1.1(3) .
C37 C38 C39 C40 -1.0(3) .
C38 C39 C40 C35 0.4(3) .
C36 C35 C40 C39 0.0(2) .
P2 C35 C40 C39 -178.26(13) .
C46 C41 C42 C43 0.3(3) .
P2 C41 C42 C43 -178.70(15) .
C41 C42 C43 C44 -0.7(3) .
C42 C43 C44 C45 0.3(3) .
C43 C44 C45 C46 0.6(3) .
C44 C45 C46 C41 -1.0(3) .
C42 C41 C46 C45 0.6(3) .
P2 C41 C46 C45 179.63(13) .
N2 B1 N1 C3 -165.42(16) .
Pt1 B1 N1 C3 16.4(3) .
N2 B1 N1 C1 -5.97(19) .
Pt1 B1 N1 C1 175.86(12) .
C2 C1 N1 B1 14.13(19) .
C2 C1 N1 C3 175.97(15) .
N1 B1 N2 C4 -162.54(16) .
Pt1 B1 N2 C4 15.6(3) .
N1 B1 N2 C2 -5.40(19) .
Pt1 B1 N2 C2 172.72(12) .
C1 C2 N2 B1 13.80(19) .
C1 C2 N2 C4 173.90(15) .
C10 C5 O1 B2 178.62(17) .
C6 C5 O1 B2 0.54(18) .
O2 B2 O1 C5 -0.16(17) .
Pt1 B2 O1 C5 178.77(12) .
C7 C6 O2 B2 -177.44(18) .
C5 C6 O2 B2 0.60(18) .
O1 B2 O2 C6 -0.27(17) .
Pt1 B2 O2 C6 -179.22(12) .
C18 C17 P1 C11 -97.57(13) .
C22 C17 P1 C11 79.88(14) .
C18 C17 P1 C23 156.42(13) .
C22 C17 P1 C23 -26.13(15) .
C18 C17 P1 Pt1 24.73(14) .
C22 C17 P1 Pt1 -157.83(12) .
C16 C11 P1 C17 -15.96(16) .
C12 C11 P1 C17 162.20(13) .
C16 C11 P1 C23 90.45(15) .
C12 C11 P1 C23 -91.40(14) .
C16 C11 P1 Pt1 -139.71(13) .
C12 C11 P1 Pt1 38.44(14) .
C28 C23 P1 C17 -48.34(14) .
C24 C23 P1 C17 136.26(14) .
C28 C23 P1 C11 -155.36(13) .
C24 C23 P1 C11 29.24(15) .
C28 C23 P1 Pt1 79.88(13) .
C24 C23 P1 Pt1 -95.52(13) .
C34 C29 P2 C35 15.24(16) .
C30 C29 P2 C35 -164.76(12) .
C34 C29 P2 C41 -90.06(15) .
C30 C29 P2 C41 89.94(13) .
C34 C29 P2 Pt1 141.62(12) .
C30 C29 P2 Pt1 -38.38(13) .
C36 C35 P2 C29 106.33(13) .
C40 C35 P2 C29 -75.35(15) .
C36 C35 P2 C41 -148.99(13) .
C40 C35 P2 C41 29.33(15) .
C36 C35 P2 Pt1 -20.64(14) .
C40 C35 P2 Pt1 157.67(12) .
C42 C41 P2 C29 -13.22(16) .
C46 C41 P2 C29 167.76(13) .
C42 C41 P2 C35 -121.80(15) .
C46 C41 P2 C35 59.17(14) .
C42 C41 P2 Pt1 112.79(14) .
C46 C41 P2 Pt1 -66.24(14) .
C47 C48 C49 C47 -0.4(3) 2_666
C49 C48 C47 C49 0.5(3) 2_666
C52 C51 C50 C52 -0.2(4) 2_656
C50 C51 C52 C50 0.2(4) 2_656
