#------------------------------------------------------------------------------
#$Date: 2020-10-06 10:37:03 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257398 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/79/1557993.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_1557993
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+, C32 H12 B F24 1-'
_chemical_formula_sum            'C58 H51 B Cu F24 N4 O P Pt'
_chemical_formula_weight         1576.43
_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                 103.6804(13)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.66021(18)
_cell_length_b                   16.24537(17)
_cell_length_c                   26.9484(4)
_cell_measurement_reflns_used    143130
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      32.3650
_cell_measurement_theta_min      2.0280
_cell_volume                     6235.97(14)
_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 0.994
_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  0.0668
_diffrn_reflns_av_unetI/netI     0.0272
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            279547
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.500
_diffrn_reflns_theta_min         1.922
_diffrn_source                   'microfocus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    2.722
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.392
_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    1.679
_exptl_crystal_description       plate
_exptl_crystal_F_000             3112
_exptl_crystal_recrystallization_method
'slow evaporation of a pentane solution at -30°C'
_exptl_crystal_size_max          0.239
_exptl_crystal_size_mid          0.042
_exptl_crystal_size_min          0.021
_refine_diff_density_max         4.685
_refine_diff_density_min         -1.242
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     924
_refine_ls_number_reflns         20630
_refine_ls_number_restraints     240
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0418
_refine_ls_R_factor_gt           0.0321
_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)+(0.0445P)²+8.1533P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0819
_refine_ls_wR_factor_ref         0.0874
_reflns_Friedel_coverage         0.000
_reflns_number_gt                17554
_reflns_number_total             20630
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0sc00646g3.cif
_cod_data_source_block           jk581
_cod_depositor_comments
;Adding full bibliography for 1557987--1557994.cif.

 Adding full bibliography for 1557987--1557994.cif.
;
_cod_original_cell_volume        6235.98(13)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1557993
_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   0.562
_shelx_estimated_absorpt_t_max   0.945
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 0.44884(2) 0.47855(2) 0.30481(2) 0.02121(3) Uani 1 1 d . . . . .
Cu1 Cu 0.32583(2) 0.38278(2) 0.33181(2) 0.02443(6) Uani 1 1 d . . . . .
P1 P 0.55211(4) 0.47827(4) 0.25650(2) 0.02334(11) Uani 1 1 d . . . . .
O1 O 0.64091(12) 0.42163(11) 0.29216(7) 0.0262(3) Uani 1 1 d . . . . .
N11 N 0.43244(14) 0.31772(12) 0.38048(7) 0.0240(4) Uani 1 1 d . . . . .
N12 N 0.53980(13) 0.37735(12) 0.34033(7) 0.0217(3) Uani 1 1 d . . . . .
N2 N 0.24432(15) 0.29998(13) 0.37676(8) 0.0281(4) Uani 1 1 d . . . . .
N3 N 0.23486(14) 0.33366(13) 0.27469(8) 0.0262(4) Uani 1 1 d . . . . .
C1 C 0.37681(18) 0.49993(17) 0.36506(11) 0.0285(5) Uani 1 1 d D . . . .
H1A H 0.3166(15) 0.4735(18) 0.3665(13) 0.038(10) Uiso 1 1 d D . . . .
H1B H 0.360(2) 0.5580(12) 0.3609(17) 0.085(16) Uiso 1 1 d D . . . .
H1C H 0.420(2) 0.492(2) 0.3971(9) 0.043(10) Uiso 1 1 d D . . . .
C2 C 0.3648(2) 0.57137(18) 0.26812(12) 0.0374(6) Uani 1 1 d . . . . .
H2A H 0.300822 0.563816 0.272497 0.056 Uiso 1 1 calc R U . . .
H2B H 0.363983 0.570239 0.231664 0.056 Uiso 1 1 calc R U . . .
H2C H 0.389310 0.624480 0.282653 0.056 Uiso 1 1 calc R U . . .
C11 C 0.31223(19) 0.27137(19) 0.42227(10) 0.0342(5) Uani 1 1 d . . . . .
H11A H 0.292444 0.216812 0.432305 0.041 Uiso 1 1 calc R U . . .
H11B H 0.312951 0.310086 0.450730 0.041 Uiso 1 1 calc R U . . .
C12 C 0.41063(18) 0.26470(16) 0.41355(9) 0.0281(5) Uani 1 1 d . . . . .
C13 C 0.4759(2) 0.20763(17) 0.44081(10) 0.0329(5) Uani 1 1 d . . . . .
H13 H 0.458081 0.169981 0.463794 0.040 Uiso 1 1 calc R U . . .
C14 C 0.5654(2) 0.20708(17) 0.43375(10) 0.0321(5) Uani 1 1 d . . . . .
H14 H 0.610161 0.168698 0.451669 0.039 Uiso 1 1 calc R U . . .
C15 C 0.59066(18) 0.26352(15) 0.39991(9) 0.0274(5) Uani 1 1 d . . . . .
C16 C 0.68082(19) 0.26713(17) 0.38911(10) 0.0322(5) Uani 1 1 d . . . . .
H16 H 0.729728 0.232117 0.406760 0.039 Uiso 1 1 calc R U . . .
C17 C 0.69690(18) 0.32065(17) 0.35355(10) 0.0302(5) Uani 1 1 d . . . . .
H17 H 0.756302 0.322655 0.345212 0.036 Uiso 1 1 calc R U . . .
C18 C 0.62280(16) 0.37371(15) 0.32902(9) 0.0243(4) Uani 1 1 d . . . . .
C19 C 0.52126(16) 0.31940(14) 0.37427(8) 0.0225(4) Uani 1 1 d . . . . .
C21 C 0.1601(2) 0.3355(2) 0.38910(12) 0.0415(6) Uani 1 1 d . . . . .
H21A H 0.178301 0.382067 0.412454 0.062 Uiso 1 1 calc R U . . .
H21B H 0.129050 0.293534 0.405425 0.062 Uiso 1 1 calc R U . . .
H21C H 0.116967 0.354502 0.357665 0.062 Uiso 1 1 calc R U . . .
C31 C 0.21852(19) 0.23406(16) 0.33867(11) 0.0318(5) Uani 1 1 d . . . . .
H31A H 0.167322 0.200656 0.346638 0.038 Uiso 1 1 calc R U . . .
H31B H 0.273263 0.197543 0.340451 0.038 Uiso 1 1 calc R U . . .
C32 C 0.18680(17) 0.26846(15) 0.28525(10) 0.0269(5) Uani 1 1 d . . . . .
C33 C 0.11601(17) 0.23191(16) 0.24827(11) 0.0322(5) Uani 1 1 d . . . . .
H33 H 0.081317 0.186900 0.256848 0.039 Uiso 1 1 calc R U . . .
C34 C 0.09678(18) 0.26175(18) 0.19901(11) 0.0358(6) Uani 1 1 d . . . . .
H34 H 0.050492 0.236004 0.172976 0.043 Uiso 1 1 calc R U . . .
C35 C 0.14540(19) 0.32948(19) 0.18779(11) 0.0353(6) Uani 1 1 d . . . . .
H35 H 0.132158 0.351805 0.154265 0.042 Uiso 1 1 calc R U . . .
C36 C 0.21380(18) 0.36395(17) 0.22653(10) 0.0314(5) Uani 1 1 d . . . . .
H36 H 0.247232 0.410630 0.219063 0.038 Uiso 1 1 calc R U . . .
C41 C 0.5265(2) 0.41827(18) 0.19590(10) 0.0335(5) Uani 1 1 d . . . . .
C42 C 0.5012(2) 0.33123(19) 0.21107(12) 0.0426(7) Uani 1 1 d . . . . .
H42A H 0.557548 0.304293 0.231388 0.064 Uiso 1 1 calc R U . . .
H42B H 0.475981 0.298839 0.180188 0.064 Uiso 1 1 calc R U . . .
H42C H 0.453854 0.335211 0.231276 0.064 Uiso 1 1 calc R U . . .
C43 C 0.6076(3) 0.4124(2) 0.16908(12) 0.0469(7) Uani 1 1 d . . . . .
H43A H 0.619568 0.466764 0.156217 0.070 Uiso 1 1 calc R U . . .
H43B H 0.590962 0.373617 0.140498 0.070 Uiso 1 1 calc R U . . .
H43C H 0.664248 0.392943 0.193405 0.070 Uiso 1 1 calc R U . . .
C44 C 0.4390(2) 0.4558(2) 0.16033(12) 0.0448(7) Uani 1 1 d . . . . .
H44A H 0.388214 0.458963 0.178231 0.067 Uiso 1 1 calc R U . . .
H44B H 0.419263 0.421275 0.129871 0.067 Uiso 1 1 calc R U . . .
H44C H 0.453752 0.511265 0.150161 0.067 Uiso 1 1 calc R U . . .
C51 C 0.62102(19) 0.57396(16) 0.25398(10) 0.0308(5) Uani 1 1 d . . . . .
C52 C 0.7186(2) 0.55795(19) 0.24434(13) 0.0394(6) Uani 1 1 d . . . . .
H52A H 0.750809 0.515697 0.268064 0.059 Uiso 1 1 calc R U . . .
H52B H 0.755270 0.608957 0.249656 0.059 Uiso 1 1 calc R U . . .
H52C H 0.711880 0.538961 0.209144 0.059 Uiso 1 1 calc R U . . .
C53 C 0.6338(2) 0.61337(18) 0.30721(12) 0.0395(6) Uani 1 1 d . . . . .
H53A H 0.572169 0.626046 0.313477 0.059 Uiso 1 1 calc R U . . .
H53B H 0.670370 0.664206 0.308702 0.059 Uiso 1 1 calc R U . . .
H53C H 0.667111 0.574909 0.333300 0.059 Uiso 1 1 calc R U . . .
C54 C 0.5654(2) 0.6331(2) 0.21365(13) 0.0434(7) Uani 1 1 d . . . . .
H54A H 0.561980 0.610650 0.179505 0.065 Uiso 1 1 calc R U . . .
H54B H 0.596920 0.686711 0.216911 0.065 Uiso 1 1 calc R U . . .
H54C H 0.501836 0.639727 0.218762 0.065 Uiso 1 1 calc R U . . .
B1 B 0.85157(16) 0.23063(15) 0.57059(9) 0.0192(4) Uani 1 1 d . . . . .
C011 C 0.82919(15) 0.15545(13) 0.52879(8) 0.0215(4) Uani 1 1 d . . . . .
C012 C 0.76320(16) 0.09615(14) 0.53405(10) 0.0254(4) Uani 1 1 d . . . . .
H012 H 0.736418 0.098937 0.562841 0.030 Uiso 1 1 calc R U . . .
C013 C 0.73504(19) 0.03295(15) 0.49869(11) 0.0306(5) Uani 1 1 d . . . . .
C014 C 0.7727(2) 0.02547(16) 0.45652(11) 0.0359(6) Uani 1 1 d . . . . .
H014 H 0.754373 -0.018044 0.432696 0.043 Uiso 1 1 calc R U . . .
C015 C 0.8379(2) 0.08328(16) 0.45017(10) 0.0327(5) Uani 1 1 d . . . . .
C016 C 0.86484(18) 0.14787(15) 0.48515(9) 0.0261(4) Uani 1 1 d . . . . .
H016 H 0.908505 0.187571 0.479061 0.031 Uiso 1 1 calc R U . . .
C017 C 0.6615(3) -0.02561(19) 0.50554(17) 0.0498(9) Uani 1 1 d D U . . .
F171 F 0.5735(2) 0.0000(3) 0.47307(19) 0.0550(14) Uani 0.568(8) 1 d D U P A 1
F172 F 0.6434(4) -0.0284(3) 0.54858(16) 0.0527(15) Uani 0.568(8) 1 d D U P A 1
F173 F 0.6693(5) -0.0990(4) 0.4863(4) 0.0499(18) Uani 0.568(8) 1 d D U P A 1
F174 F 0.5914(5) 0.0085(4) 0.5228(5) 0.094(3) Uani 0.432(8) 1 d D U P A 2
F175 F 0.7008(6) -0.0657(5) 0.5579(2) 0.072(2) Uani 0.432(8) 1 d D U P A 2
F176 F 0.6421(9) -0.0891(7) 0.4802(5) 0.076(4) Uani 0.432(8) 1 d D U P A 2
C018 C 0.8819(3) 0.0741(2) 0.40548(12) 0.0470(8) Uani 1 1 d D U . . .
F181 F 0.9283(9) 0.0051(4) 0.4055(4) 0.077(3) Uani 0.513(18) 1 d D U P B 1
F182 F 0.9466(9) 0.1326(6) 0.4019(4) 0.076(3) Uani 0.513(18) 1 d D U P B 1
F183 F 0.8235(6) 0.0791(11) 0.3609(2) 0.093(4) Uani 0.513(18) 1 d D U P B 1
F184 F 0.9569(9) 0.0310(11) 0.4180(4) 0.099(4) Uani 0.487(18) 1 d D U P B 2
F185 F 0.8949(13) 0.1424(5) 0.3874(4) 0.083(3) Uani 0.487(18) 1 d D U P B 2
F186 F 0.8228(8) 0.0315(8) 0.3682(4) 0.087(3) Uani 0.487(18) 1 d D U P B 2
C021 C 0.94906(15) 0.28079(13) 0.57177(8) 0.0204(4) Uani 1 1 d . . . . .
C022 C 1.02924(16) 0.24204(15) 0.56305(9) 0.0249(4) Uani 1 1 d . . . . .
H022 H 1.025948 0.185515 0.553759 0.030 Uiso 1 1 calc R U . . .
C023 C 1.11377(17) 0.28414(16) 0.56762(11) 0.0309(5) Uani 1 1 d . . . . .
C024 C 1.12262(18) 0.36608(17) 0.58184(12) 0.0344(6) Uani 1 1 d . . . . .
H024 H 1.180101 0.394666 0.584488 0.041 Uiso 1 1 calc R U . . .
C025 C 1.04526(17) 0.40521(15) 0.59209(10) 0.0282(5) Uani 1 1 d . . . . .
C026 C 0.96053(16) 0.36374(14) 0.58714(9) 0.0234(4) Uani 1 1 d . . . . .
H026 H 0.908667 0.392366 0.594377 0.028 Uiso 1 1 calc R U . . .
C027 C 1.1962(2) 0.2391(2) 0.55664(15) 0.0453(7) Uani 1 1 d D U . . .
F271 F 1.2798(2) 0.2711(3) 0.5895(2) 0.0693(18) Uani 0.528(7) 1 d D U P C 1
F272 F 1.2077(4) 0.2522(4) 0.51377(18) 0.066(2) Uani 0.528(7) 1 d D U P C 1
F273 F 1.1992(5) 0.1640(4) 0.5709(4) 0.072(3) Uani 0.528(7) 1 d D U P C 1
F274 F 1.2572(4) 0.2820(3) 0.5414(3) 0.072(2) Uani 0.472(7) 1 d D U P C 2
F275 F 1.1654(3) 0.1878(4) 0.5100(2) 0.0647(18) Uani 0.472(7) 1 d D U P C 2
F276 F 1.2318(6) 0.1821(6) 0.5868(3) 0.064(2) Uani 0.472(7) 1 d D U P C 2
C028 C 1.0518(2) 0.49437(18) 0.60722(13) 0.0378(6) Uani 1 1 d . . . . .
F281 F 1.13700(16) 0.51618(13) 0.63244(12) 0.0677(7) Uani 1 1 d . . . . .
F282 F 0.99633(18) 0.51438(13) 0.63767(12) 0.0712(8) Uani 1 1 d . . . . .
F283 F 1.0292(3) 0.54363(14) 0.56779(11) 0.1050(13) Uani 1 1 d . . . . .
C031 C 0.75923(14) 0.29078(13) 0.55415(8) 0.0193(4) Uani 1 1 d . . . . .
C032 C 0.75515(15) 0.35675(13) 0.52003(8) 0.0205(4) Uani 1 1 d . . . . .
H032 H 0.809414 0.370164 0.508175 0.025 Uiso 1 1 calc R U . . .
C033 C 0.67404(16) 0.40295(13) 0.50313(8) 0.0214(4) Uani 1 1 d . . . . .
C034 C 0.59189(15) 0.38381(14) 0.51766(9) 0.0231(4) Uani 1 1 d . . . . .
H034 H 0.536221 0.414962 0.505572 0.028 Uiso 1 1 calc R U . . .
C035 C 0.59371(15) 0.31766(14) 0.55042(9) 0.0222(4) Uani 1 1 d . . . . .
C036 C 0.67597(15) 0.27334(13) 0.56892(9) 0.0214(4) Uani 1 1 d . . . . .
H036 H 0.675590 0.229766 0.592385 0.026 Uiso 1 1 calc R U . . .
C037 C 0.67666(18) 0.47712(14) 0.47026(10) 0.0268(5) Uani 1 1 d . . . . .
F371 F 0.59228(13) 0.49891(13) 0.44269(8) 0.0480(5) Uani 1 1 d . . . . .
F372 F 0.72944(17) 0.46615(11) 0.43676(8) 0.0500(5) Uani 1 1 d . . . . .
F373 F 0.71226(16) 0.54309(10) 0.49789(7) 0.0481(5) Uani 1 1 d . . . . .
C038 C 0.50690(17) 0.29340(16) 0.56692(10) 0.0289(5) Uani 1 1 d . . . . .
F381 F 0.42909(12) 0.32601(13) 0.53672(9) 0.0507(5) Uani 1 1 d . . . . .
F382 F 0.50950(14) 0.31500(13) 0.61456(8) 0.0504(5) Uani 1 1 d . . . . .
F383 F 0.49280(11) 0.21200(10) 0.56501(6) 0.0333(3) Uani 1 1 d . . . . .
C041 C 0.86452(15) 0.19367(13) 0.62862(8) 0.0203(4) Uani 1 1 d . . . . .
C042 C 0.84846(16) 0.24167(14) 0.66888(8) 0.0226(4) Uani 1 1 d . . . . .
H042 H 0.823880 0.295664 0.661898 0.027 Uiso 1 1 calc R U . . .
C043 C 0.86759(17) 0.21237(15) 0.71905(9) 0.0260(4) Uani 1 1 d . . . . .
C044 C 0.90198(17) 0.13342(16) 0.73084(9) 0.0270(5) Uani 1 1 d . . . . .
H044 H 0.913884 0.113185 0.764847 0.032 Uiso 1 1 calc R U . . .
C045 C 0.91833(17) 0.08526(15) 0.69181(9) 0.0257(4) Uani 1 1 d . . . . .
C046 C 0.90053(16) 0.11452(14) 0.64163(9) 0.0234(4) Uani 1 1 d . . . . .
H046 H 0.913172 0.079860 0.615664 0.028 Uiso 1 1 calc R U . . .
C047 C 0.8490(2) 0.26618(18) 0.76046(10) 0.0347(6) Uani 1 1 d . . . . .
F471 F 0.89558(16) 0.24087(14) 0.80713(7) 0.0550(5) Uani 1 1 d . . . . .
F472 F 0.75824(14) 0.26602(12) 0.76207(7) 0.0446(4) Uani 1 1 d . . . . .
F473 F 0.87074(16) 0.34494(12) 0.75458(7) 0.0497(5) Uani 1 1 d . . . . .
C048 C 0.9584(2) 0.00029(18) 0.70293(11) 0.0346(6) Uani 1 1 d . . . . .
F481 F 0.95248(19) -0.02796(12) 0.74817(8) 0.0542(6) Uani 1 1 d . . . . .
F482 F 1.04704(16) -0.00428(16) 0.70037(11) 0.0685(8) Uani 1 1 d . . . . .
F483 F 0.9147(2) -0.05509(12) 0.66909(9) 0.0734(8) 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'
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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 C1 84.22(12) . . ?
C2 Pt1 N12 177.13(10) . . ?
C1 Pt1 N12 98.47(9) . . ?
C2 Pt1 P1 97.73(9) . . ?
C1 Pt1 P1 164.30(7) . . ?
N12 Pt1 P1 79.94(5) . . ?
C2 Pt1 Cu1 101.35(9) . . ?
C1 Pt1 Cu1 52.77(7) . . ?
N12 Pt1 Cu1 79.65(5) . . ?
P1 Pt1 Cu1 140.749(17) . . ?
N3 Cu1 N11 124.17(8) . . ?
N3 Cu1 C1 142.35(10) . . ?
N11 Cu1 C1 92.95(9) . . ?
N3 Cu1 N2 80.49(8) . . ?
N11 Cu1 N2 77.22(8) . . ?
C1 Cu1 N2 117.66(9) . . ?
N3 Cu1 Pt1 114.31(6) . . ?
N11 Cu1 Pt1 90.74(6) . . ?
C1 Cu1 Pt1 52.91(7) . . ?
N2 Cu1 Pt1 164.79(5) . . ?
N3 Cu1 H1A 129.3(8) . . ?
N11 Cu1 H1A 103.4(9) . . ?
C1 Cu1 H1A 26.9(6) . . ?
N2 Cu1 H1A 95.4(8) . . ?
Pt1 Cu1 H1A 78.2(7) . . ?
O1 P1 C41 100.46(11) . . ?
O1 P1 C51 97.08(11) . . ?
C41 P1 C51 113.78(13) . . ?
O1 P1 Pt1 101.99(6) . . ?
C41 P1 Pt1 119.46(10) . . ?
C51 P1 Pt1 118.08(9) . . ?
C18 O1 P1 118.45(15) . . ?
C12 N11 C19 119.1(2) . . ?
C12 N11 Cu1 119.21(17) . . ?
C19 N11 Cu1 120.98(15) . . ?
C18 N12 C19 117.18(19) . . ?
C18 N12 Pt1 115.52(15) . . ?
C19 N12 Pt1 127.25(15) . . ?
C11 N2 C31 111.5(2) . . ?
C11 N2 C21 112.1(2) . . ?
C31 N2 C21 110.7(2) . . ?
C11 N2 Cu1 106.84(15) . . ?
C31 N2 Cu1 97.87(15) . . ?
C21 N2 Cu1 117.00(18) . . ?
C32 N3 C36 118.6(2) . . ?
C32 N3 Cu1 116.81(17) . . ?
C36 N3 Cu1 124.44(17) . . ?
Cu1 C1 Pt1 74.32(8) . . ?
Cu1 C1 H1A 54(2) . . ?
Pt1 C1 H1A 124(2) . . ?
Cu1 C1 H1B 139(2) . . ?
Pt1 C1 H1B 103(3) . . ?
H1A C1 H1B 103(2) . . ?
Cu1 C1 H1C 110(2) . . ?
Pt1 C1 H1C 109(2) . . ?
H1A C1 H1C 108(2) . . ?
H1B C1 H1C 110(2) . . ?
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 112.1(2) . . ?
N2 C11 H11A 109.2 . . ?
C12 C11 H11A 109.2 . . ?
N2 C11 H11B 109.2 . . ?
C12 C11 H11B 109.2 . . ?
H11A C11 H11B 107.9 . . ?
N11 C12 C13 122.3(2) . . ?
N11 C12 C11 116.4(2) . . ?
C13 C12 C11 121.3(2) . . ?
C14 C13 C12 119.1(2) . . ?
C14 C13 H13 120.4 . . ?
C12 C13 H13 120.4 . . ?
C13 C14 C15 119.6(2) . . ?
C13 C14 H14 120.2 . . ?
C15 C14 H14 120.2 . . ?
C14 C15 C19 117.8(2) . . ?
C14 C15 C16 124.2(2) . . ?
C19 C15 C16 118.0(2) . . ?
C17 C16 C15 119.8(2) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C16 C17 C18 118.4(2) . . ?
C16 C17 H17 120.8 . . ?
C18 C17 H17 120.8 . . ?
N12 C18 O1 120.0(2) . . ?
N12 C18 C17 124.3(2) . . ?
O1 C18 C17 115.7(2) . . ?
N11 C19 N12 116.18(19) . . ?
N11 C19 C15 121.9(2) . . ?
N12 C19 C15 121.9(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 111.5(2) . . ?
N2 C31 H31A 109.3 . . ?
C32 C31 H31A 109.3 . . ?
N2 C31 H31B 109.3 . . ?
C32 C31 H31B 109.3 . . ?
H31A C31 H31B 108.0 . . ?
N3 C32 C33 121.7(2) . . ?
N3 C32 C31 115.9(2) . . ?
C33 C32 C31 122.3(2) . . ?
C34 C33 C32 119.2(3) . . ?
C34 C33 H33 120.4 . . ?
C32 C33 H33 120.4 . . ?
C33 C34 C35 119.5(2) . . ?
C33 C34 H34 120.3 . . ?
C35 C34 H34 120.3 . . ?
C34 C35 C36 118.4(3) . . ?
C34 C35 H35 120.8 . . ?
C36 C35 H35 120.8 . . ?
N3 C36 C35 122.5(3) . . ?
N3 C36 H36 118.8 . . ?
C35 C36 H36 118.8 . . ?
C43 C41 C44 110.9(3) . . ?
C43 C41 C42 109.3(3) . . ?
C44 C41 C42 108.2(3) . . ?
C43 C41 P1 115.3(2) . . ?
C44 C41 P1 107.8(2) . . ?
C42 C41 P1 105.00(18) . . ?
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 C52 110.3(2) . . ?
C54 C51 C53 109.1(2) . . ?
C52 C51 C53 108.3(2) . . ?
C54 C51 P1 110.3(2) . . ?
C52 C51 P1 113.54(19) . . ?
C53 C51 P1 105.09(18) . . ?
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 . . ?
C021 B1 C011 114.52(18) . . ?
C021 B1 C031 111.63(17) . . ?
C011 B1 C031 103.84(17) . . ?
C021 B1 C041 105.03(17) . . ?
C011 B1 C041 109.91(17) . . ?
C031 B1 C041 112.11(17) . . ?
C012 C011 C016 115.4(2) . . ?
C012 C011 B1 118.3(2) . . ?
C016 C011 B1 126.0(2) . . ?
C013 C012 C011 122.6(2) . . ?
C013 C012 H012 118.7 . . ?
C011 C012 H012 118.7 . . ?
C014 C013 C012 121.0(3) . . ?
C014 C013 C017 119.4(3) . . ?
C012 C013 C017 119.6(3) . . ?
C015 C014 C013 117.8(2) . . ?
C015 C014 H014 121.1 . . ?
C013 C014 H014 121.1 . . ?
C014 C015 C016 121.3(3) . . ?
C014 C015 C018 118.2(3) . . ?
C016 C015 C018 120.5(3) . . ?
C011 C016 C015 121.9(2) . . ?
C011 C016 H016 119.1 . . ?
C015 C016 H016 119.1 . . ?
F172 C017 F173 112.9(6) . . ?
F176 C017 F174 116.3(7) . . ?
F172 C017 F171 102.6(4) . . ?
F173 C017 F171 99.8(5) . . ?
F176 C017 C013 123.2(8) . . ?
F172 C017 C013 117.3(3) . . ?
F173 C017 C013 113.5(5) . . ?
F174 C017 C013 114.7(4) . . ?
F171 C017 C013 108.2(3) . . ?
F176 C017 F175 98.1(8) . . ?
F174 C017 F175 90.4(6) . . ?
C013 C017 F175 105.1(3) . . ?
F185 C018 F184 112.9(8) . . ?
F183 C018 F181 106.4(7) . . ?
F185 C018 F186 107.2(6) . . ?
F184 C018 F186 106.1(7) . . ?
F183 C018 F182 102.0(6) . . ?
F181 C018 F182 103.1(7) . . ?
F185 C018 C015 111.1(5) . . ?
F184 C018 C015 110.4(6) . . ?
F183 C018 C015 114.8(5) . . ?
F181 C018 C015 114.0(5) . . ?
F186 C018 C015 109.0(5) . . ?
F182 C018 C015 115.2(4) . . ?
C022 C021 C026 115.6(2) . . ?
C022 C021 B1 122.4(2) . . ?
C026 C021 B1 121.62(19) . . ?
C023 C022 C021 121.9(2) . . ?
C023 C022 H022 119.1 . . ?
C021 C022 H022 119.1 . . ?
C024 C023 C022 121.3(2) . . ?
C024 C023 C027 119.8(2) . . ?
C022 C023 C027 118.9(3) . . ?
C023 C024 C025 118.0(2) . . ?
C023 C024 H024 121.0 . . ?
C025 C024 H024 121.0 . . ?
C024 C025 C026 120.9(2) . . ?
C024 C025 C028 119.6(2) . . ?
C026 C025 C028 119.5(2) . . ?
C025 C026 C021 122.2(2) . . ?
C025 C026 H026 118.9 . . ?
C021 C026 H026 118.9 . . ?
F276 C027 F274 113.1(6) . . ?
F272 C027 F273 116.5(6) . . ?
F272 C027 F271 103.4(5) . . ?
F273 C027 F271 101.3(5) . . ?
F276 C027 F275 97.4(5) . . ?
F274 C027 F275 97.5(5) . . ?
F272 C027 C023 113.5(3) . . ?
F276 C027 C023 117.5(5) . . ?
F274 C027 C023 117.1(3) . . ?
F273 C027 C023 112.3(4) . . ?
F271 C027 C023 108.3(3) . . ?
F275 C027 C023 110.1(3) . . ?
F283 C028 F281 106.4(3) . . ?
F283 C028 F282 106.1(3) . . ?
F281 C028 F282 105.0(3) . . ?
F283 C028 C025 112.4(3) . . ?
F281 C028 C025 113.0(3) . . ?
F282 C028 C025 113.3(2) . . ?
C036 C031 C032 115.84(19) . . ?
C036 C031 B1 121.41(19) . . ?
C032 C031 B1 122.36(19) . . ?
C033 C032 C031 121.9(2) . . ?
C033 C032 H032 119.1 . . ?
C031 C032 H032 119.1 . . ?
C034 C033 C032 121.3(2) . . ?
C034 C033 C037 119.4(2) . . ?
C032 C033 C037 119.2(2) . . ?
C033 C034 C035 117.8(2) . . ?
C033 C034 H034 121.1 . . ?
C035 C034 H034 121.1 . . ?
C034 C035 C036 120.9(2) . . ?
C034 C035 C038 120.2(2) . . ?
C036 C035 C038 118.9(2) . . ?
C035 C036 C031 122.2(2) . . ?
C035 C036 H036 118.9 . . ?
C031 C036 H036 118.9 . . ?
F371 C037 F372 105.6(2) . . ?
F371 C037 F373 106.6(2) . . ?
F372 C037 F373 105.8(2) . . ?
F371 C037 C033 113.1(2) . . ?
F372 C037 C033 113.1(2) . . ?
F373 C037 C033 112.0(2) . . ?
F382 C038 F383 105.6(2) . . ?
F382 C038 F381 108.0(2) . . ?
F383 C038 F381 105.4(2) . . ?
F382 C038 C035 112.8(2) . . ?
F383 C038 C035 112.5(2) . . ?
F381 C038 C035 112.1(2) . . ?
C042 C041 C046 116.0(2) . . ?
C042 C041 B1 122.06(19) . . ?
C046 C041 B1 121.7(2) . . ?
C043 C042 C041 121.8(2) . . ?
C043 C042 H042 119.1 . . ?
C041 C042 H042 119.1 . . ?
C044 C043 C042 121.0(2) . . ?
C044 C043 C047 119.4(2) . . ?
C042 C043 C047 119.6(2) . . ?
C045 C044 C043 118.0(2) . . ?
C045 C044 H044 121.0 . . ?
C043 C044 H044 121.0 . . ?
C044 C045 C046 121.3(2) . . ?
C044 C045 C048 120.0(2) . . ?
C046 C045 C048 118.7(2) . . ?
C045 C046 C041 121.8(2) . . ?
C045 C046 H046 119.1 . . ?
C041 C046 H046 119.1 . . ?
F473 C047 F472 105.7(2) . . ?
F473 C047 F471 108.7(2) . . ?
F472 C047 F471 104.9(2) . . ?
F473 C047 C043 112.4(2) . . ?
F472 C047 C043 112.4(2) . . ?
F471 C047 C043 112.2(2) . . ?
F482 C048 F481 108.0(3) . . ?
F482 C048 F483 104.2(3) . . ?
F481 C048 F483 105.7(3) . . ?
F482 C048 C045 112.6(2) . . ?
F481 C048 C045 113.2(2) . . ?
F483 C048 C045 112.4(2) . . ?
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 2.048(3) . ?
Pt1 C1 2.164(3) . ?
Pt1 N12 2.1894(19) . ?
Pt1 P1 2.2180(6) . ?
Pt1 Cu1 2.6119(3) . ?
Cu1 N3 1.953(2) . ?
Cu1 N11 2.076(2) . ?
Cu1 C1 2.160(3) . ?
Cu1 N2 2.322(2) . ?
Cu1 H1A 1.77(3) . ?
P1 O1 1.6949(18) . ?
P1 C41 1.862(3) . ?
P1 C51 1.864(3) . ?
O1 C18 1.337(3) . ?
N11 C12 1.332(3) . ?
N11 C19 1.352(3) . ?
N12 C18 1.324(3) . ?
N12 C19 1.383(3) . ?
N2 C11 1.461(3) . ?
N2 C31 1.470(3) . ?
N2 C21 1.470(4) . ?
N3 C32 1.339(3) . ?
N3 C36 1.353(3) . ?
C1 H1A 0.991(17) . ?
C1 H1B 0.975(18) . ?
C1 H1C 0.949(18) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C11 C12 1.519(4) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.408(4) . ?
C13 C14 1.370(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.403(4) . ?
C14 H14 0.9500 . ?
C15 C19 1.416(3) . ?
C15 C16 1.420(4) . ?
C16 C17 1.355(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.421(3) . ?
C17 H17 0.9500 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C31 C32 1.511(4) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.391(3) . ?
C33 C34 1.378(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.383(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.384(4) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C41 C43 1.534(4) . ?
C41 C44 1.534(4) . ?
C41 C42 1.542(4) . ?
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 1.533(4) . ?
C51 C52 1.535(4) . ?
C51 C53 1.541(4) . ?
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 . ?
B1 C021 1.639(3) . ?
B1 C011 1.641(3) . ?
B1 C031 1.643(3) . ?
B1 C041 1.644(3) . ?
C011 C012 1.396(3) . ?
C011 C016 1.401(3) . ?
C012 C013 1.395(3) . ?
C012 H012 0.9500 . ?
C013 C014 1.382(4) . ?
C013 C017 1.482(4) . ?
C014 C015 1.379(4) . ?
C014 H014 0.9500 . ?
C015 C016 1.403(4) . ?
C015 C018 1.502(4) . ?
C016 H016 0.9500 . ?
C017 F176 1.233(10) . ?
C017 F172 1.250(5) . ?
C017 F173 1.315(6) . ?
C017 F174 1.344(8) . ?
C017 F171 1.438(5) . ?
C017 F175 1.537(8) . ?
C018 F185 1.245(8) . ?
C018 F184 1.279(9) . ?
C018 F183 1.303(7) . ?
C018 F181 1.311(8) . ?
C018 F186 1.351(7) . ?
C018 F182 1.363(8) . ?
C021 C022 1.401(3) . ?
C021 C026 1.408(3) . ?
C022 C023 1.395(3) . ?
C022 H022 0.9500 . ?
C023 C024 1.383(4) . ?
C023 C027 1.500(4) . ?
C024 C025 1.384(4) . ?
C024 H024 0.9500 . ?
C025 C026 1.391(3) . ?
C025 C028 1.502(4) . ?
C026 H026 0.9500 . ?
C027 F272 1.225(5) . ?
C027 F276 1.261(7) . ?
C027 F274 1.276(5) . ?
C027 F273 1.276(7) . ?
C027 F271 1.430(5) . ?
C027 F275 1.487(6) . ?
C028 F283 1.309(4) . ?
C028 F281 1.321(4) . ?
C028 F282 1.326(4) . ?
C031 C036 1.400(3) . ?
C031 C032 1.404(3) . ?
C032 C033 1.389(3) . ?
C032 H032 0.9500 . ?
C033 C034 1.387(3) . ?
C033 C037 1.501(3) . ?
C034 C035 1.387(3) . ?
C034 H034 0.9500 . ?
C035 C036 1.392(3) . ?
C035 C038 1.497(3) . ?
C036 H036 0.9500 . ?
C037 F371 1.331(3) . ?
C037 F372 1.332(3) . ?
C037 F373 1.339(3) . ?
C038 F382 1.323(3) . ?
C038 F383 1.338(3) . ?
C038 F381 1.344(3) . ?
C041 C042 1.401(3) . ?
C041 C046 1.403(3) . ?
C042 C043 1.398(3) . ?
C042 H042 0.9500 . ?
C043 C044 1.387(3) . ?
C043 C047 1.492(4) . ?
C044 C045 1.377(4) . ?
C044 H044 0.9500 . ?
C045 C046 1.398(3) . ?
C045 C048 1.502(4) . ?
C046 H046 0.9500 . ?
C047 F473 1.337(3) . ?
C047 F472 1.342(4) . ?
C047 F471 1.346(3) . ?
C048 F482 1.319(4) . ?
C048 F481 1.324(3) . ?
C048 F483 1.332(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
C41 P1 O1 C18 -105.15(19) . . . . ?
C51 P1 O1 C18 139.00(18) . . . . ?
Pt1 P1 O1 C18 18.25(18) . . . . ?
C31 N2 C11 C12 76.5(3) . . . . ?
C21 N2 C11 C12 -158.8(2) . . . . ?
Cu1 N2 C11 C12 -29.3(3) . . . . ?
C19 N11 C12 C13 -2.8(4) . . . . ?
Cu1 N11 C12 C13 167.8(2) . . . . ?
C19 N11 C12 C11 174.6(2) . . . . ?
Cu1 N11 C12 C11 -14.8(3) . . . . ?
N2 C11 C12 N11 31.0(3) . . . . ?
N2 C11 C12 C13 -151.6(2) . . . . ?
N11 C12 C13 C14 0.9(4) . . . . ?
C11 C12 C13 C14 -176.3(3) . . . . ?
C12 C13 C14 C15 0.5(4) . . . . ?
C13 C14 C15 C19 0.1(4) . . . . ?
C13 C14 C15 C16 -178.7(3) . . . . ?
C14 C15 C16 C17 176.1(3) . . . . ?
C19 C15 C16 C17 -2.7(4) . . . . ?
C15 C16 C17 C18 1.8(4) . . . . ?
C19 N12 C18 O1 172.3(2) . . . . ?
Pt1 N12 C18 O1 -9.9(3) . . . . ?
C19 N12 C18 C17 -7.3(3) . . . . ?
Pt1 N12 C18 C17 170.51(19) . . . . ?
P1 O1 C18 N12 -6.7(3) . . . . ?
P1 O1 C18 C17 172.93(17) . . . . ?
C16 C17 C18 N12 3.4(4) . . . . ?
C16 C17 C18 O1 -176.1(2) . . . . ?
C12 N11 C19 N12 -178.4(2) . . . . ?
Cu1 N11 C19 N12 11.2(3) . . . . ?
C12 N11 C19 C15 3.3(3) . . . . ?
Cu1 N11 C19 C15 -167.11(17) . . . . ?
C18 N12 C19 N11 -172.2(2) . . . . ?
Pt1 N12 C19 N11 10.3(3) . . . . ?
C18 N12 C19 C15 6.1(3) . . . . ?
Pt1 N12 C19 C15 -171.40(17) . . . . ?
C14 C15 C19 N11 -2.0(3) . . . . ?
C16 C15 C19 N11 176.9(2) . . . . ?
C14 C15 C19 N12 179.8(2) . . . . ?
C16 C15 C19 N12 -1.3(3) . . . . ?
C11 N2 C31 C32 -154.0(2) . . . . ?
C21 N2 C31 C32 80.5(3) . . . . ?
Cu1 N2 C31 C32 -42.4(2) . . . . ?
C36 N3 C32 C33 -0.4(4) . . . . ?
Cu1 N3 C32 C33 175.74(19) . . . . ?
C36 N3 C32 C31 175.8(2) . . . . ?
Cu1 N3 C32 C31 -8.1(3) . . . . ?
N2 C31 C32 N3 39.2(3) . . . . ?
N2 C31 C32 C33 -144.6(2) . . . . ?
N3 C32 C33 C34 2.2(4) . . . . ?
C31 C32 C33 C34 -173.8(2) . . . . ?
C32 C33 C34 C35 -2.7(4) . . . . ?
C33 C34 C35 C36 1.5(4) . . . . ?
C32 N3 C36 C35 -0.8(4) . . . . ?
Cu1 N3 C36 C35 -176.7(2) . . . . ?
C34 C35 C36 N3 0.3(4) . . . . ?
O1 P1 C41 C43 -61.7(2) . . . . ?
C51 P1 C41 C43 40.9(3) . . . . ?
Pt1 P1 C41 C43 -172.0(2) . . . . ?
O1 P1 C41 C44 173.8(2) . . . . ?
C51 P1 C41 C44 -83.6(2) . . . . ?
Pt1 P1 C41 C44 63.5(2) . . . . ?
O1 P1 C41 C42 58.6(2) . . . . ?
C51 P1 C41 C42 161.2(2) . . . . ?
Pt1 P1 C41 C42 -51.6(2) . . . . ?
O1 P1 C51 C54 167.2(2) . . . . ?
C41 P1 C51 C54 62.5(2) . . . . ?
Pt1 P1 C51 C54 -85.1(2) . . . . ?
O1 P1 C51 C52 42.9(2) . . . . ?
C41 P1 C51 C52 -61.9(2) . . . . ?
Pt1 P1 C51 C52 150.54(18) . . . . ?
O1 P1 C51 C53 -75.3(2) . . . . ?
C41 P1 C51 C53 179.91(19) . . . . ?
Pt1 P1 C51 C53 32.3(2) . . . . ?
C021 B1 C011 C012 163.09(19) . . . . ?
C031 B1 C011 C012 -74.9(2) . . . . ?
C041 B1 C011 C012 45.2(3) . . . . ?
C021 B1 C011 C016 -22.3(3) . . . . ?
C031 B1 C011 C016 99.7(2) . . . . ?
C041 B1 C011 C016 -140.2(2) . . . . ?
C016 C011 C012 C013 0.6(3) . . . . ?
B1 C011 C012 C013 175.8(2) . . . . ?
C011 C012 C013 C014 0.9(4) . . . . ?
C011 C012 C013 C017 -177.3(3) . . . . ?
C012 C013 C014 C015 -1.0(4) . . . . ?
C017 C013 C014 C015 177.1(3) . . . . ?
C013 C014 C015 C016 -0.3(4) . . . . ?
C013 C014 C015 C018 177.9(3) . . . . ?
C012 C011 C016 C015 -2.0(3) . . . . ?
B1 C011 C016 C015 -176.7(2) . . . . ?
C014 C015 C016 C011 1.9(4) . . . . ?
C018 C015 C016 C011 -176.3(2) . . . . ?
C014 C013 C017 F176 12.1(9) . . . . ?
C012 C013 C017 F176 -169.8(8) . . . . ?
C014 C013 C017 F172 165.2(5) . . . . ?
C012 C013 C017 F172 -16.6(6) . . . . ?
C014 C013 C017 F173 30.5(7) . . . . ?
C012 C013 C017 F173 -151.3(5) . . . . ?
C014 C013 C017 F174 -139.7(7) . . . . ?
C012 C013 C017 F174 38.4(7) . . . . ?
C014 C013 C017 F171 -79.3(4) . . . . ?
C012 C013 C017 F171 98.8(4) . . . . ?
C014 C013 C017 F175 122.7(5) . . . . ?
C012 C013 C017 F175 -59.2(5) . . . . ?
C014 C015 C018 F185 143.4(9) . . . . ?
C016 C015 C018 F185 -38.4(10) . . . . ?
C014 C015 C018 F184 -90.6(10) . . . . ?
C016 C015 C018 F184 87.6(10) . . . . ?
C014 C015 C018 F183 62.8(10) . . . . ?
C016 C015 C018 F183 -119.0(10) . . . . ?
C014 C015 C018 F181 -60.3(8) . . . . ?
C016 C015 C018 F181 117.9(7) . . . . ?
C014 C015 C018 F186 25.6(8) . . . . ?
C016 C015 C018 F186 -156.2(8) . . . . ?
C014 C015 C018 F182 -179.1(8) . . . . ?
C016 C015 C018 F182 -0.9(8) . . . . ?
C011 B1 C021 C022 -34.6(3) . . . . ?
C031 B1 C021 C022 -152.2(2) . . . . ?
C041 B1 C021 C022 86.0(2) . . . . ?
C011 B1 C021 C026 152.5(2) . . . . ?
C031 B1 C021 C026 34.9(3) . . . . ?
C041 B1 C021 C026 -86.9(2) . . . . ?
C026 C021 C022 C023 -2.2(3) . . . . ?
B1 C021 C022 C023 -175.5(2) . . . . ?
C021 C022 C023 C024 1.1(4) . . . . ?
C021 C022 C023 C027 -178.7(3) . . . . ?
C022 C023 C024 C025 0.8(4) . . . . ?
C027 C023 C024 C025 -179.4(3) . . . . ?
C023 C024 C025 C026 -1.4(4) . . . . ?
C023 C024 C025 C028 -179.5(3) . . . . ?
C024 C025 C026 C021 0.2(4) . . . . ?
C028 C025 C026 C021 178.3(2) . . . . ?
C022 C021 C026 C025 1.6(3) . . . . ?
B1 C021 C026 C025 174.9(2) . . . . ?
C024 C023 C027 F272 -80.7(6) . . . . ?
C022 C023 C027 F272 99.1(5) . . . . ?
C024 C023 C027 F276 113.1(6) . . . . ?
C022 C023 C027 F276 -67.1(6) . . . . ?
C024 C023 C027 F274 -26.7(7) . . . . ?
C022 C023 C027 F274 153.1(5) . . . . ?
C024 C023 C027 F273 144.5(6) . . . . ?
C022 C023 C027 F273 -35.7(6) . . . . ?
C024 C023 C027 F271 33.5(5) . . . . ?
C022 C023 C027 F271 -146.7(4) . . . . ?
C024 C023 C027 F275 -136.7(4) . . . . ?
C022 C023 C027 F275 43.1(5) . . . . ?
C024 C025 C028 F283 89.5(4) . . . . ?
C026 C025 C028 F283 -88.6(4) . . . . ?
C024 C025 C028 F281 -30.9(4) . . . . ?
C026 C025 C028 F281 150.9(3) . . . . ?
C024 C025 C028 F282 -150.2(3) . . . . ?
C026 C025 C028 F282 31.6(4) . . . . ?
C021 B1 C031 C036 -154.9(2) . . . . ?
C011 B1 C031 C036 81.2(2) . . . . ?
C041 B1 C031 C036 -37.3(3) . . . . ?
C021 B1 C031 C032 32.5(3) . . . . ?
C011 B1 C031 C032 -91.4(2) . . . . ?
C041 B1 C031 C032 150.0(2) . . . . ?
C036 C031 C032 C033 1.6(3) . . . . ?
B1 C031 C032 C033 174.6(2) . . . . ?
C031 C032 C033 C034 -2.6(3) . . . . ?
C031 C032 C033 C037 174.8(2) . . . . ?
C032 C033 C034 C035 1.1(3) . . . . ?
C037 C033 C034 C035 -176.4(2) . . . . ?
C033 C034 C035 C036 1.4(3) . . . . ?
C033 C034 C035 C038 -179.2(2) . . . . ?
C034 C035 C036 C031 -2.5(3) . . . . ?
C038 C035 C036 C031 178.1(2) . . . . ?
C032 C031 C036 C035 1.0(3) . . . . ?
B1 C031 C036 C035 -172.1(2) . . . . ?
C034 C033 C037 F371 -24.3(3) . . . . ?
C032 C033 C037 F371 158.2(2) . . . . ?
C034 C033 C037 F372 -144.3(2) . . . . ?
C032 C033 C037 F372 38.2(3) . . . . ?
C034 C033 C037 F373 96.3(3) . . . . ?
C032 C033 C037 F373 -81.2(3) . . . . ?
C034 C035 C038 F382 -105.2(3) . . . . ?
C036 C035 C038 F382 74.1(3) . . . . ?
C034 C035 C038 F383 135.5(2) . . . . ?
C036 C035 C038 F383 -45.2(3) . . . . ?
C034 C035 C038 F381 16.9(3) . . . . ?
C036 C035 C038 F381 -163.8(2) . . . . ?
C021 B1 C041 C042 81.3(2) . . . . ?
C011 B1 C041 C042 -155.0(2) . . . . ?
C031 B1 C041 C042 -40.1(3) . . . . ?
C021 B1 C041 C046 -92.8(2) . . . . ?
C011 B1 C041 C046 30.9(3) . . . . ?
C031 B1 C041 C046 145.8(2) . . . . ?
C046 C041 C042 C043 0.2(3) . . . . ?
B1 C041 C042 C043 -174.2(2) . . . . ?
C041 C042 C043 C044 -1.1(4) . . . . ?
C041 C042 C043 C047 -179.9(2) . . . . ?
C042 C043 C044 C045 1.2(4) . . . . ?
C047 C043 C044 C045 180.0(2) . . . . ?
C043 C044 C045 C046 -0.3(4) . . . . ?
C043 C044 C045 C048 178.1(2) . . . . ?
C044 C045 C046 C041 -0.6(4) . . . . ?
C048 C045 C046 C041 -179.0(2) . . . . ?
C042 C041 C046 C045 0.6(3) . . . . ?
B1 C041 C046 C045 175.0(2) . . . . ?
C044 C043 C047 F473 142.7(3) . . . . ?
C042 C043 C047 F473 -38.4(3) . . . . ?
C044 C043 C047 F472 -98.1(3) . . . . ?
C042 C043 C047 F472 80.7(3) . . . . ?
C044 C043 C047 F471 19.8(4) . . . . ?
C042 C043 C047 F471 -161.4(2) . . . . ?
C044 C045 C048 F482 -106.8(3) . . . . ?
C046 C045 C048 F482 71.6(3) . . . . ?
C044 C045 C048 F481 16.0(4) . . . . ?
C046 C045 C048 F481 -165.5(3) . . . . ?
C044 C045 C048 F483 135.8(3) . . . . ?
C046 C045 C048 F483 -45.8(4) . . . . ?
