#------------------------------------------------------------------------------
#$Date: 2020-10-06 10:37:03 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257398 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/79/1557988.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_1557988
loop_
_publ_author_name
'Deolka, Shubham'
'Rivada-Wheelaghan, Orestes'
'Aristizábal, Sandra L.'
'Fayzullin, Robert R.'
'Pal, Shrinwantu'
'Nozaki, Kyoko'
'Khaskin, Eugene'
'Khusnutdinova, Julia R.'
_publ_section_title
;
 Metal--metal cooperative bond activation by heterobimetallic alkyl, aryl,
 and acetylide PtII/CuI complexes
;
_journal_issue                   21
_journal_name_full               'Chemical Science'
_journal_page_first              5494
_journal_page_last               5502
_journal_paper_doi               10.1039/D0SC00646G
_journal_volume                  11
_journal_year                    2020
_chemical_formula_moiety         'C26 H39 Cu N4 O P Pt 1+, Cl2 Cu 1-'
_chemical_formula_sum            'C26 H39 Cl2 Cu2 N4 O P Pt'
_chemical_formula_weight         847.65
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-01-02 deposited with the CCDC.	2020-04-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.7026(16)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.7739(2)
_cell_length_b                   8.98822(13)
_cell_length_c                   27.1150(4)
_cell_measurement_reflns_used    31351
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      32.4080
_cell_measurement_theta_min      2.7410
_cell_volume                     3059.04(8)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics
;
WinGX (Farrugia, 2012); Olex2 (Dolomanov et al., 2009);
ORTEP-3 (Farrugia, 2012); PLATON (Spek, 2009)
;
_computing_publication_material  'enCIFer (Allen, 2004)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT-2018/2 (Sheldrick, 2015)'
_diffrn_ambient_temperature      93(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.930
_diffrn_measurement_device_type  'XtaLAB Pro: Kappa dual offset/far'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0448
_diffrn_reflns_av_unetI/netI     0.0310
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.930
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            61309
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.930
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.337
_diffrn_reflns_theta_min         2.734
_diffrn_source                   'microfocus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    6.193
_exptl_absorpt_correction_T_max  0.968
_exptl_absorpt_correction_T_min  0.732
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018).
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model. Empirical absorption correction using
spherical harmonics, frame scaling and detector area scaling,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.841
_exptl_crystal_description       plate
_exptl_crystal_F_000             1664
_exptl_crystal_recrystallization_method
'vapor diffusion of pentane into a benzene solution at r.t.'
_exptl_crystal_size_max          0.073
_exptl_crystal_size_mid          0.046
_exptl_crystal_size_min          0.022
_refine_diff_density_max         2.417
_refine_diff_density_min         -0.726
_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     354
_refine_ls_number_reflns         10168
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0336
_refine_ls_R_factor_gt           0.0249
_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)+(0.0259P)²+2.8658P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0535
_refine_ls_wR_factor_ref         0.0558
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8716
_reflns_number_total             10168
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0sc00646g3.cif
_cod_data_source_block           jk579
_cod_depositor_comments
;Adding full bibliography for 1557987--1557994.cif.

 Adding full bibliography for 1557987--1557994.cif.
;
_cod_original_cell_volume        3059.03(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1557988
_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_min   0.661
_shelx_estimated_absorpt_t_max   0.876
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_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 0.71527(2) 0.54296(2) 0.29060(2) 0.01099(3) Uani 1 1 d . . . . .
Cu1 Cu 0.71022(2) 0.38567(3) 0.37273(2) 0.01746(6) Uani 1 1 d . . . . .
P1 P 0.77221(5) 0.77059(6) 0.27651(2) 0.01178(10) Uani 1 1 d . . . . .
O1 O 0.66848(13) 0.87725(18) 0.28582(6) 0.0144(3) Uani 1 1 d . . . . .
N2 N 0.65500(17) 0.2508(2) 0.43622(8) 0.0164(4) Uani 1 1 d . . . . .
N3 N 0.84767(17) 0.3667(2) 0.41892(8) 0.0177(4) Uani 1 1 d . . . . .
N11 N 0.57403(16) 0.4969(2) 0.38226(7) 0.0138(4) Uani 1 1 d . . . . .
N12 N 0.60949(15) 0.6783(2) 0.32682(7) 0.0131(4) Uani 1 1 d . . . . .
C1 C 0.63266(17) 0.3287(3) 0.29244(8) 0.0113(4) Uani 1 1 d D . . . .
H1A H 0.657(3) 0.257(3) 0.3155(11) 0.035(9) Uiso 1 1 d D . . . .
H1B H 0.5617(16) 0.349(4) 0.2920(13) 0.032(9) Uiso 1 1 d D . . . .
H1C H 0.645(3) 0.286(4) 0.2630(9) 0.032(9) Uiso 1 1 d D . . . .
C2 C 0.8180(2) 0.4240(3) 0.25602(10) 0.0193(5) Uani 1 1 d . . . . .
H2A H 0.784871 0.405683 0.220973 0.029 Uiso 1 1 calc R U . . .
H2B H 0.834365 0.328843 0.273363 0.029 Uiso 1 1 calc R U . . .
H2C H 0.883967 0.480765 0.257207 0.029 Uiso 1 1 calc R U . . .
C11 C 0.54465(19) 0.2931(3) 0.43682(9) 0.0174(4) Uani 1 1 d . . . . .
H11A H 0.532704 0.291015 0.471855 0.021 Uiso 1 1 calc R U . . .
H11B H 0.496322 0.219056 0.417398 0.021 Uiso 1 1 calc R U . . .
C12 C 0.51713(19) 0.4461(3) 0.41500(9) 0.0158(4) Uani 1 1 d . . . . .
C13 C 0.4313(2) 0.5254(3) 0.42823(9) 0.0182(5) Uani 1 1 d . . . . .
H13 H 0.391350 0.484354 0.451191 0.022 Uiso 1 1 calc R U . . .
C14 C 0.40648(19) 0.6627(3) 0.40744(9) 0.0171(4) Uani 1 1 d . . . . .
H14 H 0.349459 0.718576 0.416166 0.020 Uiso 1 1 calc R U . . .
C15 C 0.46604(18) 0.7206(3) 0.37303(8) 0.0145(4) Uani 1 1 d . . . . .
C16 C 0.45062(19) 0.8647(3) 0.35180(9) 0.0164(4) Uani 1 1 d . . . . .
H16 H 0.393598 0.925185 0.358157 0.020 Uiso 1 1 calc R U . . .
C17 C 0.51766(19) 0.9157(3) 0.32238(9) 0.0155(4) Uani 1 1 d . . . . .
H17 H 0.510453 1.013606 0.308941 0.019 Uiso 1 1 calc R U . . .
C18 C 0.59870(18) 0.8196(3) 0.31217(8) 0.0134(4) Uani 1 1 d . . . . .
C19 C 0.54802(18) 0.6311(3) 0.36056(8) 0.0134(4) Uani 1 1 d . . . . .
C21 C 0.6672(2) 0.0886(3) 0.43919(11) 0.0267(6) Uani 1 1 d . . . . .
H21A H 0.625901 0.043056 0.408880 0.040 Uiso 1 1 calc R U . . .
H21B H 0.641335 0.051585 0.468748 0.040 Uiso 1 1 calc R U . . .
H21C H 0.742614 0.062657 0.441944 0.040 Uiso 1 1 calc R U . . .
C31 C 0.72964(19) 0.3217(3) 0.47724(9) 0.0168(4) Uani 1 1 d . . . . .
H31A H 0.729890 0.266115 0.508795 0.020 Uiso 1 1 calc R U . . .
H31B H 0.705871 0.424609 0.482035 0.020 Uiso 1 1 calc R U . . .
C32 C 0.8407(2) 0.3247(3) 0.46594(9) 0.0178(5) Uani 1 1 d . . . . .
C33 C 0.9302(2) 0.2909(3) 0.50168(10) 0.0245(5) Uani 1 1 d . . . . .
H33 H 0.923102 0.258871 0.534285 0.029 Uiso 1 1 calc R U . . .
C34 C 1.0299(2) 0.3046(4) 0.48914(10) 0.0290(6) Uani 1 1 d . . . . .
H34 H 1.092271 0.282776 0.513114 0.035 Uiso 1 1 calc R U . . .
C35 C 1.0377(2) 0.3504(3) 0.44112(10) 0.0262(6) Uani 1 1 d . . . . .
H35 H 1.105414 0.362329 0.431875 0.031 Uiso 1 1 calc R U . . .
C36 C 0.9454(2) 0.3786(3) 0.40696(10) 0.0224(5) Uani 1 1 d . . . . .
H36 H 0.950741 0.407374 0.373811 0.027 Uiso 1 1 calc R U . . .
C41 C 0.88411(19) 0.8459(3) 0.32363(9) 0.0168(4) Uani 1 1 d . . . . .
C42 C 0.8527(2) 0.8211(3) 0.37512(9) 0.0230(5) Uani 1 1 d . . . . .
H42A H 0.788991 0.879834 0.377205 0.034 Uiso 1 1 calc R U . . .
H42B H 0.911366 0.852267 0.401729 0.034 Uiso 1 1 calc R U . . .
H42C H 0.837590 0.715366 0.379222 0.034 Uiso 1 1 calc R U . . .
C43 C 0.9089(2) 1.0105(3) 0.31781(11) 0.0261(6) Uani 1 1 d . . . . .
H43A H 0.938749 1.024637 0.287352 0.039 Uiso 1 1 calc R U . . .
H43B H 0.960651 1.043717 0.347066 0.039 Uiso 1 1 calc R U . . .
H43C H 0.843279 1.068724 0.315287 0.039 Uiso 1 1 calc R U . . .
C44 C 0.9830(2) 0.7501(3) 0.32144(10) 0.0227(5) Uani 1 1 d . . . . .
H44A H 0.966007 0.645059 0.325682 0.034 Uiso 1 1 calc R U . . .
H44B H 1.041401 0.780192 0.348365 0.034 Uiso 1 1 calc R U . . .
H44C H 1.004559 0.763917 0.288898 0.034 Uiso 1 1 calc R U . . .
C51 C 0.77346(18) 0.8331(3) 0.21130(8) 0.0149(4) Uani 1 1 d . . . . .
C52 C 0.7577(3) 1.0013(3) 0.20338(10) 0.0252(6) Uani 1 1 d . . . . .
H52A H 0.691714 1.031989 0.214027 0.038 Uiso 1 1 calc R U . . .
H52B H 0.753241 1.024952 0.167769 0.038 Uiso 1 1 calc R U . . .
H52C H 0.818138 1.054437 0.223301 0.038 Uiso 1 1 calc R U . . .
C53 C 0.6802(2) 0.7529(3) 0.17824(9) 0.0193(5) Uani 1 1 d . . . . .
H53A H 0.690684 0.645092 0.181573 0.029 Uiso 1 1 calc R U . . .
H53B H 0.676697 0.781900 0.143136 0.029 Uiso 1 1 calc R U . . .
H53C H 0.613522 0.780347 0.188872 0.029 Uiso 1 1 calc R U . . .
C54 C 0.8771(2) 0.7843(3) 0.19526(10) 0.0240(5) Uani 1 1 d . . . . .
H54A H 0.937437 0.835824 0.215836 0.036 Uiso 1 1 calc R U . . .
H54B H 0.874008 0.809334 0.159846 0.036 Uiso 1 1 calc R U . . .
H54C H 0.886007 0.676630 0.199851 0.036 Uiso 1 1 calc R U . . .
Cu2 Cu 0.73828(2) -0.12026(3) 0.54351(2) 0.02001(7) Uani 1 1 d . . . . .
Cl1 Cl 0.79574(5) 0.04363(7) 0.59710(2) 0.02391(12) Uani 1 1 d . . . . .
Cl2 Cl 0.68220(5) -0.27893(7) 0.48748(2) 0.02382(12) 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'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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
C2 Pt1 N12 177.54(9) . . ?
C2 Pt1 C1 84.52(9) . . ?
N12 Pt1 C1 97.93(8) . . ?
C2 Pt1 P1 98.23(7) . . ?
N12 Pt1 P1 79.32(5) . . ?
C1 Pt1 P1 168.67(6) . . ?
C2 Pt1 Cu1 102.94(7) . . ?
N12 Pt1 Cu1 78.77(5) . . ?
C1 Pt1 Cu1 55.06(6) . . ?
P1 Pt1 Cu1 133.949(17) . . ?
N3 Cu1 N11 129.50(8) . . ?
N3 Cu1 C1 140.21(8) . . ?
N11 Cu1 C1 90.09(8) . . ?
N3 Cu1 N2 80.82(8) . . ?
N11 Cu1 N2 77.34(8) . . ?
C1 Cu1 N2 116.98(8) . . ?
N3 Cu1 Pt1 115.07(6) . . ?
N11 Cu1 Pt1 89.96(6) . . ?
C1 Cu1 Pt1 52.43(6) . . ?
N2 Cu1 Pt1 163.96(5) . . ?
N3 Cu1 H1A 126.3(8) . . ?
N11 Cu1 H1A 102.1(9) . . ?
C1 Cu1 H1A 23.3(5) . . ?
N2 Cu1 H1A 99.9(8) . . ?
Pt1 Cu1 H1A 72.9(7) . . ?
O1 P1 C51 96.65(10) . . ?
O1 P1 C41 102.39(10) . . ?
C51 P1 C41 113.73(11) . . ?
O1 P1 Pt1 101.83(6) . . ?
C51 P1 Pt1 120.11(8) . . ?
C41 P1 Pt1 116.78(8) . . ?
C18 O1 P1 118.38(14) . . ?
C11 N2 C21 110.5(2) . . ?
C11 N2 C31 111.71(19) . . ?
C21 N2 C31 110.0(2) . . ?
C11 N2 Cu1 107.38(14) . . ?
C21 N2 Cu1 121.09(17) . . ?
C31 N2 Cu1 95.23(14) . . ?
C32 N3 C36 118.4(2) . . ?
C32 N3 Cu1 114.76(17) . . ?
C36 N3 Cu1 126.58(17) . . ?
C12 N11 C19 118.4(2) . . ?
C12 N11 Cu1 119.70(16) . . ?
C19 N11 Cu1 121.39(15) . . ?
C18 N12 C19 116.84(19) . . ?
C18 N12 Pt1 115.86(15) . . ?
C19 N12 Pt1 127.16(15) . . ?
Pt1 C1 Cu1 72.51(7) . . ?
Pt1 C1 H1A 122(2) . . ?
Cu1 C1 H1A 58(2) . . ?
Pt1 C1 H1B 107(2) . . ?
Cu1 C1 H1B 103(2) . . ?
H1A C1 H1B 111(3) . . ?
Pt1 C1 H1C 101(2) . . ?
Cu1 C1 H1C 144(2) . . ?
H1A C1 H1C 102(3) . . ?
H1B C1 H1C 113(3) . . ?
Pt1 C2 H2A 109.5 . . ?
Pt1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
Pt1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N2 C11 C12 112.7(2) . . ?
N2 C11 H11A 109.0 . . ?
C12 C11 H11A 109.0 . . ?
N2 C11 H11B 109.0 . . ?
C12 C11 H11B 109.0 . . ?
H11A C11 H11B 107.8 . . ?
N11 C12 C13 123.0(2) . . ?
N11 C12 C11 117.3(2) . . ?
C13 C12 C11 119.7(2) . . ?
C14 C13 C12 118.9(2) . . ?
C14 C13 H13 120.6 . . ?
C12 C13 H13 120.6 . . ?
C13 C14 C15 119.5(2) . . ?
C13 C14 H14 120.2 . . ?
C15 C14 H14 120.2 . . ?
C14 C15 C19 117.7(2) . . ?
C14 C15 C16 123.7(2) . . ?
C19 C15 C16 118.5(2) . . ?
C17 C16 C15 119.6(2) . . ?
C17 C16 H16 120.2 . . ?
C15 C16 H16 120.2 . . ?
C16 C17 C18 118.3(2) . . ?
C16 C17 H17 120.9 . . ?
C18 C17 H17 120.9 . . ?
N12 C18 O1 119.0(2) . . ?
N12 C18 C17 124.3(2) . . ?
O1 C18 C17 116.7(2) . . ?
N11 C19 N12 116.0(2) . . ?
N11 C19 C15 122.4(2) . . ?
N12 C19 C15 121.6(2) . . ?
N2 C21 H21A 109.5 . . ?
N2 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
N2 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N2 C31 C32 110.93(19) . . ?
N2 C31 H31A 109.5 . . ?
C32 C31 H31A 109.5 . . ?
N2 C31 H31B 109.5 . . ?
C32 C31 H31B 109.5 . . ?
H31A C31 H31B 108.0 . . ?
N3 C32 C33 122.1(2) . . ?
N3 C32 C31 115.3(2) . . ?
C33 C32 C31 122.6(2) . . ?
C34 C33 C32 119.1(2) . . ?
C34 C33 H33 120.5 . . ?
C32 C33 H33 120.5 . . ?
C33 C34 C35 119.1(2) . . ?
C33 C34 H34 120.4 . . ?
C35 C34 H34 120.4 . . ?
C36 C35 C34 118.9(3) . . ?
C36 C35 H35 120.6 . . ?
C34 C35 H35 120.6 . . ?
N3 C36 C35 122.5(2) . . ?
N3 C36 H36 118.8 . . ?
C35 C36 H36 118.8 . . ?
C43 C41 C44 110.5(2) . . ?
C43 C41 C42 109.2(2) . . ?
C44 C41 C42 107.9(2) . . ?
C43 C41 P1 115.45(17) . . ?
C44 C41 P1 107.55(17) . . ?
C42 C41 P1 105.88(17) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C41 C44 H44A 109.5 . . ?
C41 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C41 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C54 C51 C53 108.6(2) . . ?
C54 C51 C52 109.9(2) . . ?
C53 C51 C52 108.3(2) . . ?
C54 C51 P1 110.12(17) . . ?
C53 C51 P1 105.74(16) . . ?
C52 C51 P1 114.01(17) . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C51 C53 H53A 109.5 . . ?
C51 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C51 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C51 C54 H54A 109.5 . . ?
C51 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C51 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
Cl1 Cu2 Cl2 177.68(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 C2 2.050(2) . ?
Pt1 N12 2.1823(19) . ?
Pt1 C1 2.201(2) . ?
Pt1 P1 2.2280(6) . ?
Pt1 Cu1 2.6486(3) . ?
Cu1 N3 1.966(2) . ?
Cu1 N11 2.064(2) . ?
Cu1 C1 2.277(2) . ?
Cu1 N2 2.320(2) . ?
Cu1 H1A 1.95(4) . ?
P1 O1 1.6920(17) . ?
P1 C51 1.858(2) . ?
P1 C41 1.859(2) . ?
O1 C18 1.345(3) . ?
N2 C11 1.463(3) . ?
N2 C21 1.467(3) . ?
N2 C31 1.469(3) . ?
N3 C32 1.348(3) . ?
N3 C36 1.351(3) . ?
N11 C12 1.329(3) . ?
N11 C19 1.356(3) . ?
N12 C18 1.330(3) . ?
N12 C19 1.378(3) . ?
C1 H1A 0.912(18) . ?
C1 H1B 0.924(18) . ?
C1 H1C 0.922(18) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C11 C12 1.512(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.409(3) . ?
C13 C14 1.369(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.408(3) . ?
C14 H14 0.9500 . ?
C15 C19 1.410(3) . ?
C15 C16 1.416(3) . ?
C16 C17 1.354(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.415(3) . ?
C17 H17 0.9500 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C31 C32 1.506(3) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.388(4) . ?
C33 C34 1.383(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.387(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.381(4) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C41 C43 1.527(4) . ?
C41 C44 1.539(4) . ?
C41 C42 1.539(3) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C51 C54 1.532(3) . ?
C51 C53 1.532(3) . ?
C51 C52 1.535(3) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
Cu2 Cl1 2.1033(7) . ?
Cu2 Cl2 2.1097(7) . ?
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
C51 P1 O1 C18 142.19(17) . . . . ?
C41 P1 O1 C18 -101.68(17) . . . . ?
Pt1 P1 O1 C18 19.47(17) . . . . ?
C21 N2 C11 C12 -158.6(2) . . . . ?
C31 N2 C11 C12 78.5(2) . . . . ?
Cu1 N2 C11 C12 -24.6(2) . . . . ?
C19 N11 C12 C13 -0.2(3) . . . . ?
Cu1 N11 C12 C13 171.75(18) . . . . ?
C19 N11 C12 C11 177.3(2) . . . . ?
Cu1 N11 C12 C11 -10.8(3) . . . . ?
N2 C11 C12 N11 25.0(3) . . . . ?
N2 C11 C12 C13 -157.4(2) . . . . ?
N11 C12 C13 C14 -1.5(4) . . . . ?
C11 C12 C13 C14 -178.9(2) . . . . ?
C12 C13 C14 C15 0.8(4) . . . . ?
C13 C14 C15 C19 1.5(3) . . . . ?
C13 C14 C15 C16 -176.2(2) . . . . ?
C14 C15 C16 C17 174.3(2) . . . . ?
C19 C15 C16 C17 -3.4(3) . . . . ?
C15 C16 C17 C18 2.6(3) . . . . ?
C19 N12 C18 O1 169.47(19) . . . . ?
Pt1 N12 C18 O1 -14.5(3) . . . . ?
C19 N12 C18 C17 -10.6(3) . . . . ?
Pt1 N12 C18 C17 165.42(18) . . . . ?
P1 O1 C18 N12 -4.7(3) . . . . ?
P1 O1 C18 C17 175.42(16) . . . . ?
C16 C17 C18 N12 4.6(4) . . . . ?
C16 C17 C18 O1 -175.4(2) . . . . ?
C12 N11 C19 N12 -179.9(2) . . . . ?
Cu1 N11 C19 N12 8.4(3) . . . . ?
C12 N11 C19 C15 2.7(3) . . . . ?
Cu1 N11 C19 C15 -169.11(17) . . . . ?
C18 N12 C19 N11 -168.0(2) . . . . ?
Pt1 N12 C19 N11 16.5(3) . . . . ?
C18 N12 C19 C15 9.5(3) . . . . ?
Pt1 N12 C19 C15 -165.97(16) . . . . ?
C14 C15 C19 N11 -3.4(3) . . . . ?
C16 C15 C19 N11 174.5(2) . . . . ?
C14 C15 C19 N12 179.3(2) . . . . ?
C16 C15 C19 N12 -2.9(3) . . . . ?
C11 N2 C31 C32 -159.20(19) . . . . ?
C21 N2 C31 C32 77.7(3) . . . . ?
Cu1 N2 C31 C32 -48.14(19) . . . . ?
C36 N3 C32 C33 -1.3(4) . . . . ?
Cu1 N3 C32 C33 173.0(2) . . . . ?
C36 N3 C32 C31 177.0(2) . . . . ?
Cu1 N3 C32 C31 -8.7(3) . . . . ?
N2 C31 C32 N3 44.7(3) . . . . ?
N2 C31 C32 C33 -137.0(2) . . . . ?
N3 C32 C33 C34 1.8(4) . . . . ?
C31 C32 C33 C34 -176.3(3) . . . . ?
C32 C33 C34 C35 -0.5(5) . . . . ?
C33 C34 C35 C36 -1.2(5) . . . . ?
C32 N3 C36 C35 -0.5(4) . . . . ?
Cu1 N3 C36 C35 -174.1(2) . . . . ?
C34 C35 C36 N3 1.7(4) . . . . ?
O1 P1 C41 C43 -59.9(2) . . . . ?
C51 P1 C41 C43 43.2(2) . . . . ?
Pt1 P1 C41 C43 -170.14(17) . . . . ?
O1 P1 C41 C44 176.20(16) . . . . ?
C51 P1 C41 C44 -80.72(19) . . . . ?
Pt1 P1 C41 C44 65.96(18) . . . . ?
O1 P1 C41 C42 61.00(18) . . . . ?
C51 P1 C41 C42 164.07(16) . . . . ?
Pt1 P1 C41 C42 -49.25(18) . . . . ?
O1 P1 C51 C54 166.40(17) . . . . ?
C41 P1 C51 C54 59.7(2) . . . . ?
Pt1 P1 C51 C54 -85.76(18) . . . . ?
O1 P1 C51 C53 -76.51(17) . . . . ?
C41 P1 C51 C53 176.79(16) . . . . ?
Pt1 P1 C51 C53 31.33(19) . . . . ?
O1 P1 C51 C52 42.38(19) . . . . ?
C41 P1 C51 C52 -64.3(2) . . . . ?
Pt1 P1 C51 C52 150.21(16) . . . . ?
