#------------------------------------------------------------------------------
#$Date: 2025-03-04 20:38:16 +0200 (Tue, 04 Mar 2025) $
#$Revision: 298049 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/40/7134091.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_7134091
loop_
_publ_author_name
'Theiss, Tobias'
'Buss, Stefan'
'Maisuls, Iván'
'Block, Theresa'
'Kösters, Jutta'
'Pöttgen, Rainer'
'Strassert, Cristian A.'
_publ_section_title
;
 Heterobimetallic contacts in statistical co-crystals of homoleptic
 coordination compounds with ligand-encoded H⋯F bonds: structure,
 photophysics and mechano-responsive properties.
;
_journal_issue                   7
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              1387
_journal_page_last               1390
_journal_paper_doi               10.1039/d4cc03784g
_journal_volume                  61
_journal_year                    2025
_chemical_formula_sum            'C34 H29 F4 N5 O2 Pd0.51 Pt0.49'
_chemical_formula_weight         765.15
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-10-11 deposited with the CCDC.	2024-11-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.0890(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   33.6105(6)
_cell_length_b                   13.3921(2)
_cell_length_c                   13.4561(3)
_cell_measurement_reflns_used    75041
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.0
_cell_measurement_theta_min      2.16
_cell_volume                     5819.56(19)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  Pilatus100K
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0473
_diffrn_reflns_av_unetI/netI     0.0184
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            71719
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.877
_diffrn_reflns_theta_min         2.154
_diffrn_source                   'Mo Genix 3D VHF'
_exptl_absorpt_coefficient_mu    2.741
_exptl_absorpt_correction_T_max  0.9414
_exptl_absorpt_correction_T_min  0.5226
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'STOE X-RED'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.747
_exptl_crystal_description       plate
_exptl_crystal_F_000             3052
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.260
_exptl_crystal_size_min          0.023
_refine_diff_density_max         1.544
_refine_diff_density_min         -1.627
_refine_diff_density_rms         0.194
_refine_ls_extinction_coef       0.00100(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     429
_refine_ls_number_reflns         6944
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.109
_refine_ls_R_factor_all          0.0551
_refine_ls_R_factor_gt           0.0484
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0991P)²+9.7685P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1373
_refine_ls_wR_factor_ref         0.1434
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5944
_reflns_number_total             6944
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4cc03784g2.cif
_cod_data_source_block           Si42_100K_sadc2c_a
_cod_depositor_comments
'Adding full bibliography for 7134091--7134093.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7134091
_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   0.525
_shelx_estimated_absorpt_t_max   0.940
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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 0.48329(3) 0.70529(7) 0.36155(6) 0.0322(5) Uani 0.486(6) 1 d . . P A 1
Pd1 Pd 0.48332(4) 0.70561(16) 0.36133(14) 0.0368(11) Uani 0.514(6) 1 d . . P A 2
N1 N 0.58299(13) 0.7398(3) 0.4734(3) 0.0365(8) Uani 1 1 d . . . . .
C2 C 0.62625(15) 0.7565(3) 0.5281(3) 0.0365(9) Uani 1 1 d . . . . .
C3 C 0.63767(16) 0.7738(3) 0.6340(4) 0.0386(9) Uani 1 1 d . . . . .
H3 H 0.617475 0.772245 0.671335 0.046 Uiso 1 1 calc R U . . .
C4 C 0.67883(17) 0.7933(3) 0.6848(4) 0.0404(10) Uani 1 1 d . . . . .
H4 H 0.686647 0.804094 0.757428 0.049 Uiso 1 1 calc R U . . .
C5 C 0.70907(16) 0.7975(3) 0.6314(4) 0.0397(10) Uani 1 1 d . . . . .
C6 C 0.69655(16) 0.7788(4) 0.5248(4) 0.0420(10) Uani 1 1 d . . . . .
H6 H 0.716584 0.779811 0.486985 0.050 Uiso 1 1 calc R U . . .
C7 C 0.65573(16) 0.7587(3) 0.4736(4) 0.0397(9) Uani 1 1 d . . . . .
H7 H 0.647850 0.746519 0.401246 0.048 Uiso 1 1 calc R U . . .
C8 C 0.75350(16) 0.8233(4) 0.6856(4) 0.0445(10) Uani 1 1 d . . . . .
H8A H 0.771453 0.766472 0.678961 0.053 Uiso 1 1 calc R U . . .
H8AB H 0.756380 0.833433 0.760139 0.053 Uiso 1 1 calc R U . . .
C9 C 0.76821(16) 0.9174(4) 0.6416(4) 0.0461(11) Uani 1 1 d . . . . .
H9A H 0.798564 0.923889 0.670555 0.055 Uiso 1 1 calc R U . . .
H9AB H 0.762257 0.910449 0.565595 0.055 Uiso 1 1 calc R U . . .
C10 C 0.74735(18) 1.0118(4) 0.6660(4) 0.0483(11) Uani 1 1 d . . . . .
H10A H 0.758323 1.026535 0.740736 0.058 Uiso 1 1 calc R U . . .
H10B H 0.717290 0.998932 0.651947 0.058 Uiso 1 1 calc R U . . .
C11 C 0.75349(19) 1.1042(4) 0.6044(5) 0.0541(13) Uani 1 1 d . . . . .
H11A H 0.783541 1.114468 0.614996 0.065 Uiso 1 1 calc R U . . .
H11B H 0.742658 1.163313 0.632588 0.065 Uiso 1 1 calc R U . . .
C12 C 0.73232(19) 1.0979(5) 0.4878(5) 0.0576(14) Uani 1 1 d . . . . .
H12A H 0.739228 1.158496 0.453782 0.069 Uiso 1 1 calc R U . . .
H12B H 0.743351 1.039473 0.458927 0.069 Uiso 1 1 calc R U . . .
C13 C 0.6856(2) 1.0886(7) 0.4629(6) 0.085(2) Uani 1 1 d . . . . .
H13A H 0.673770 1.082195 0.387913 0.128 Uiso 1 1 calc R U . . .
H13B H 0.674265 1.148291 0.487330 0.128 Uiso 1 1 calc R U . . .
H13C H 0.678513 1.029442 0.497301 0.128 Uiso 1 1 calc R U . . .
C20 C 0.57089(14) 0.6391(3) 0.4630(3) 0.0334(8) Uani 1 1 d . . . . .
C21 C 0.60178(14) 0.5672(3) 0.5050(3) 0.0350(8) Uani 1 1 d . . . . .
H21 H 0.629111 0.587535 0.540491 0.042 Uiso 1 1 calc R U . . .
C22 C 0.59177(15) 0.4678(3) 0.4939(3) 0.0376(9) Uani 1 1 d . . . . .
C23 C 0.55143(14) 0.4382(3) 0.4429(3) 0.0351(9) Uani 1 1 d . . . . .
H23 H 0.544276 0.369441 0.435388 0.042 Uiso 1 1 calc R U . . .
C24 C 0.52217(14) 0.5109(3) 0.4036(3) 0.0336(9) Uani 1 1 d . . . . .
N25 N 0.53260(12) 0.6111(3) 0.4137(3) 0.0325(7) Uani 1 1 d . . . . .
O26 O 0.61864(10) 0.3927(2) 0.5289(3) 0.0391(7) Uani 1 1 d . . . . .
C27 C 0.66079(16) 0.4179(4) 0.5760(4) 0.0460(11) Uani 1 1 d . . . . .
H27A H 0.671632 0.455921 0.527008 0.069 Uiso 1 1 calc R U . . .
H27B H 0.677042 0.356669 0.595702 0.069 Uiso 1 1 calc R U . . .
H27C H 0.662732 0.458438 0.637816 0.069 Uiso 1 1 calc R U . . .
C30 C 0.56066(14) 0.8289(3) 0.4404(3) 0.0342(8) Uani 1 1 d . . . . .
C31 C 0.58366(15) 0.9179(3) 0.4503(3) 0.0370(9) Uani 1 1 d . . . . .
H31 H 0.612986 0.917075 0.476105 0.044 Uiso 1 1 calc R U . . .
C32 C 0.56247(16) 1.0067(3) 0.4213(3) 0.0382(9) Uani 1 1 d . . . . .
C33 C 0.51989(14) 1.0083(3) 0.3852(3) 0.0356(9) Uani 1 1 d . . . . .
H33 H 0.505368 1.069552 0.367771 0.043 Uiso 1 1 calc R U . . .
C34 C 0.49871(15) 0.9180(3) 0.3750(3) 0.0331(8) Uani 1 1 d . . . . .
N35 N 0.51966(12) 0.8294(3) 0.4023(3) 0.0339(8) Uani 1 1 d . . . . .
O36 O 0.58702(11) 1.0879(2) 0.4330(3) 0.0436(8) Uani 1 1 d . . . . .
C37 C 0.56763(17) 1.1822(3) 0.4037(4) 0.0430(10) Uani 1 1 d . . . . .
H37A H 0.552259 1.180660 0.330242 0.065 Uiso 1 1 calc R U . . .
H37B H 0.588793 1.234528 0.415384 0.065 Uiso 1 1 calc R U . . .
H37C H 0.548495 1.196152 0.445216 0.065 Uiso 1 1 calc R U . . .
C40 C 0.47880(14) 0.4920(3) 0.3481(3) 0.0343(9) Uani 1 1 d . . . . .
C41 C 0.46062(15) 0.3992(3) 0.3209(3) 0.0365(9) Uani 1 1 d . . . . .
N42 N 0.42263(12) 0.3810(3) 0.2693(3) 0.0360(8) Uani 1 1 d . . . . .
C43 C 0.39990(15) 0.4614(3) 0.2393(3) 0.0371(9) Uani 1 1 d . . . . .
C44 C 0.41258(15) 0.5589(3) 0.2589(3) 0.0383(9) Uani 1 1 d . . . . .
H44 H 0.394020 0.612343 0.233004 0.046 Uiso 1 1 calc R U . . .
C45 C 0.45265(15) 0.5778(3) 0.3167(3) 0.0343(8) Uani 1 1 d . . . . .
F46 F 0.48356(9) 0.3154(2) 0.3498(2) 0.0409(6) Uani 1 1 d . . . . .
F47 F 0.36060(9) 0.4424(2) 0.1840(2) 0.0436(6) Uani 1 1 d . . . . .
C50 C 0.45417(15) 0.9057(3) 0.3395(3) 0.0358(9) Uani 1 1 d . . . . .
C51 C 0.42485(16) 0.9827(3) 0.3189(4) 0.0388(9) Uani 1 1 d . . . . .
N52 N 0.38455(14) 0.9741(3) 0.2944(3) 0.0422(9) Uani 1 1 d . . . . .
C53 C 0.37113(15) 0.8812(4) 0.2912(4) 0.0405(9) Uani 1 1 d . . . . .
C54 C 0.39557(16) 0.7961(3) 0.3078(4) 0.0376(10) Uani 1 1 d . . . . .
H54 H 0.383435 0.731712 0.304517 0.045 Uiso 1 1 calc R U . . .
C55 C 0.43766(15) 0.8071(3) 0.3292(3) 0.0342(9) Uani 1 1 d . . . . .
F56 F 0.43771(9) 1.0787(2) 0.3240(2) 0.0433(6) Uani 1 1 d . . . . .
F57 F 0.32983(9) 0.8715(2) 0.2678(3) 0.0512(7) 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'
F F 0.0171 0.0103 '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'
Pd Pd -0.9988 1.0072 '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
C45 Pt1 C55 102.46(19) . . ?
C45 Pt1 N25 82.98(17) . . ?
C55 Pt1 N25 172.13(17) . . ?
C45 Pt1 N35 173.93(17) . . ?
C55 Pt1 N35 82.54(18) . . ?
N25 Pt1 N35 92.40(15) . . ?
C45 Pd1 C55 102.4(2) . . ?
C45 Pd1 N35 174.0(2) . . ?
C55 Pd1 N35 82.7(2) . . ?
C45 Pd1 N25 82.83(18) . . ?
C55 Pd1 N25 172.1(2) . . ?
N35 Pd1 N25 92.44(16) . . ?
C20 N1 C30 131.7(4) . . ?
C20 N1 C2 114.8(4) . . ?
C30 N1 C2 113.5(4) . . ?
C7 C2 C3 120.3(5) . . ?
C7 C2 N1 119.7(4) . . ?
C3 C2 N1 119.9(4) . . ?
C4 C3 C2 119.4(5) . . ?
C4 C3 H3 120.3 . . ?
C2 C3 H3 120.3 . . ?
C3 C4 C5 121.4(5) . . ?
C3 C4 H4 119.3 . . ?
C5 C4 H4 119.3 . . ?
C4 C5 C6 117.6(5) . . ?
C4 C5 C8 121.5(5) . . ?
C6 C5 C8 120.8(5) . . ?
C7 C6 C5 121.4(5) . . ?
C7 C6 H6 119.3 . . ?
C5 C6 H6 119.3 . . ?
C6 C7 C2 119.8(4) . . ?
C6 C7 H7 120.1 . . ?
C2 C7 H7 120.1 . . ?
C5 C8 C9 112.5(4) . . ?
C5 C8 H8A 109.1 . . ?
C9 C8 H8A 109.1 . . ?
C5 C8 H8AB 109.1 . . ?
C9 C8 H8AB 109.1 . . ?
H8A C8 H8AB 107.8 . . ?
C10 C9 C8 112.4(4) . . ?
C10 C9 H9A 109.1 . . ?
C8 C9 H9A 109.1 . . ?
C10 C9 H9AB 109.1 . . ?
C8 C9 H9AB 109.1 . . ?
H9A C9 H9AB 107.8 . . ?
C9 C10 C11 114.4(5) . . ?
C9 C10 H10A 108.7 . . ?
C11 C10 H10A 108.7 . . ?
C9 C10 H10B 108.7 . . ?
C11 C10 H10B 108.7 . . ?
H10A C10 H10B 107.6 . . ?
C10 C11 C12 114.5(5) . . ?
C10 C11 H11A 108.6 . . ?
C12 C11 H11A 108.6 . . ?
C10 C11 H11B 108.6 . . ?
C12 C11 H11B 108.6 . . ?
H11A C11 H11B 107.6 . . ?
C13 C12 C11 112.8(6) . . ?
C13 C12 H12A 109.0 . . ?
C11 C12 H12A 109.0 . . ?
C13 C12 H12B 109.0 . . ?
C11 C12 H12B 109.0 . . ?
H12A C12 H12B 107.8 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N25 C20 N1 122.3(4) . . ?
N25 C20 C21 120.7(4) . . ?
N1 C20 C21 117.0(4) . . ?
C22 C21 C20 119.1(4) . . ?
C22 C21 H21 120.4 . . ?
C20 C21 H21 120.4 . . ?
O26 C22 C21 124.5(4) . . ?
O26 C22 C23 115.2(4) . . ?
C21 C22 C23 120.3(4) . . ?
C24 C23 C22 118.7(4) . . ?
C24 C23 H23 120.7 . . ?
C22 C23 H23 120.7 . . ?
C23 C24 N25 120.8(4) . . ?
C23 C24 C40 125.3(4) . . ?
N25 C24 C40 114.0(4) . . ?
C20 N25 C24 120.4(4) . . ?
C20 N25 Pt1 125.3(3) . . ?
C24 N25 Pt1 113.9(3) . . ?
C20 N25 Pd1 125.2(3) . . ?
C24 N25 Pd1 114.0(3) . . ?
C22 O26 C27 117.8(4) . . ?
O26 C27 H27A 109.5 . . ?
O26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
O26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N35 C30 C31 121.0(4) . . ?
N35 C30 N1 121.9(4) . . ?
C31 C30 N1 117.1(4) . . ?
C32 C31 C30 118.3(4) . . ?
C32 C31 H31 120.8 . . ?
C30 C31 H31 120.8 . . ?
O36 C32 C33 124.9(4) . . ?
O36 C32 C31 114.2(4) . . ?
C33 C32 C31 121.0(4) . . ?
C32 C33 C34 118.3(4) . . ?
C32 C33 H33 120.8 . . ?
C34 C33 H33 120.8 . . ?
N35 C34 C33 120.9(4) . . ?
N35 C34 C50 113.3(4) . . ?
C33 C34 C50 125.8(4) . . ?
C30 N35 C34 120.4(4) . . ?
C30 N35 Pd1 125.3(3) . . ?
C34 N35 Pd1 113.8(3) . . ?
C30 N35 Pt1 125.2(3) . . ?
C34 N35 Pt1 113.9(3) . . ?
C32 O36 C37 117.6(4) . . ?
O36 C37 H37A 109.5 . . ?
O36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
O36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C41 C40 C45 116.7(4) . . ?
C41 C40 C24 126.3(4) . . ?
C45 C40 C24 117.0(4) . . ?
N42 C41 F46 113.3(4) . . ?
N42 C41 C40 127.3(4) . . ?
F46 C41 C40 119.4(4) . . ?
C41 N42 C43 114.4(4) . . ?
N42 C43 F47 114.4(4) . . ?
N42 C43 C44 126.4(4) . . ?
F47 C43 C44 119.2(4) . . ?
C43 C44 C45 119.0(4) . . ?
C43 C44 H44 120.5 . . ?
C45 C44 H44 120.5 . . ?
C44 C45 C40 116.1(4) . . ?
C44 C45 Pt1 131.9(3) . . ?
C40 C45 Pt1 111.8(3) . . ?
C44 C45 Pd1 131.9(3) . . ?
C40 C45 Pd1 111.9(3) . . ?
C51 C50 C55 115.5(4) . . ?
C51 C50 C34 126.0(4) . . ?
C55 C50 C34 118.5(4) . . ?
N52 C51 F56 113.0(4) . . ?
N52 C51 C50 127.5(4) . . ?
F56 C51 C50 119.5(4) . . ?
C51 N52 C53 114.3(4) . . ?
N52 C53 F57 114.9(4) . . ?
N52 C53 C54 126.0(5) . . ?
F57 C53 C54 119.1(4) . . ?
C55 C54 C53 118.5(4) . . ?
C55 C54 H54 120.8 . . ?
C53 C54 H54 120.8 . . ?
C54 C55 C50 118.1(4) . . ?
C54 C55 Pd1 131.0(3) . . ?
C50 C55 Pd1 110.7(3) . . ?
C54 C55 Pt1 130.9(3) . . ?
C50 C55 Pt1 110.8(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 C45 1.998(4) . ?
Pt1 C55 2.007(4) . ?
Pt1 N25 2.046(4) . ?
Pt1 N35 2.047(4) . ?
Pd1 C45 2.002(5) . ?
Pd1 C55 2.005(5) . ?
Pd1 N35 2.043(4) . ?
Pd1 N25 2.048(4) . ?
N1 C20 1.405(5) . ?
N1 C30 1.414(6) . ?
N1 C2 1.454(6) . ?
C2 C7 1.387(7) . ?
C2 C3 1.388(6) . ?
C3 C4 1.388(7) . ?
C3 H3 0.9500 . ?
C4 C5 1.399(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.400(7) . ?
C5 C8 1.509(7) . ?
C6 C7 1.380(7) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C9 1.532(7) . ?
C8 H8A 0.9900 . ?
C8 H8AB 0.9900 . ?
C9 C10 1.525(7) . ?
C9 H9A 0.9900 . ?
C9 H9AB 0.9900 . ?
C10 C11 1.534(8) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.536(8) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.518(10) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C20 N25 1.328(6) . ?
C20 C21 1.414(6) . ?
C21 C22 1.372(6) . ?
C21 H21 0.9500 . ?
C22 O26 1.346(6) . ?
C22 C23 1.397(7) . ?
C23 C24 1.380(6) . ?
C23 H23 0.9500 . ?
C24 N25 1.385(5) . ?
C24 C40 1.464(6) . ?
O26 C27 1.423(6) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C30 N35 1.330(6) . ?
C30 C31 1.407(6) . ?
C31 C32 1.386(6) . ?
C31 H31 0.9500 . ?
C32 O36 1.347(6) . ?
C32 C33 1.378(7) . ?
C33 C34 1.391(6) . ?
C33 H33 0.9500 . ?
C34 N35 1.376(6) . ?
C34 C50 1.449(7) . ?
O36 C37 1.426(6) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C40 C41 1.389(6) . ?
C40 C45 1.437(6) . ?
C41 N42 1.296(6) . ?
C41 F46 1.356(5) . ?
N42 C43 1.317(6) . ?
C43 F47 1.348(5) . ?
C43 C44 1.377(6) . ?
C44 C45 1.379(7) . ?
C44 H44 0.9500 . ?
C50 C51 1.400(7) . ?
C50 C55 1.424(6) . ?
C51 N52 1.307(7) . ?
C51 F56 1.353(5) . ?
N52 C53 1.319(6) . ?
C53 F57 1.342(6) . ?
C53 C54 1.386(6) . ?
C54 C55 1.371(7) . ?
C54 H54 0.9500 . ?
