#------------------------------------------------------------------------------
#$Date: 2025-07-06 18:57:24 +0300 (Sun, 06 Jul 2025) $
#$Revision: 300819 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/84/7718486.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_7718486
loop_
_publ_author_name
'Rayasingh, Amlan Ranjan'
'Manivannan, Vadivelu'
_publ_section_title
;
 Palladium(II) and platinum(II) complexes of disubstituted
 imidazo[1,5-a]pyridine and imidazolylpyridine: coordination
 chemistry, versatile catalysis, and biophysical study.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7741
_journal_page_last               7752
_journal_paper_doi               10.1039/d5dt00346f
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         '2(C18 H14 Cl4 N6 Pt2), 4(C3 H7 N O)'
_chemical_formula_sum            'C48 H56 Cl8 N16 O4 Pt4'
_chemical_formula_weight         1985.04
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2025-02-02
_audit_creation_method
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_audit_update_record
;
2025-02-11 deposited with the CCDC.	2025-04-01 downloaded from the CCDC.
;
_cell_angle_alpha                110.893(4)
_cell_angle_beta                 92.382(4)
_cell_angle_gamma                103.115(4)
_cell_formula_units_Z            2
_cell_length_a                   13.218(2)
_cell_length_b                   15.636(3)
_cell_length_c                   16.364(3)
_cell_measurement_reflns_used    9190
_cell_measurement_temperature    295.00
_cell_measurement_theta_max      27.34
_cell_measurement_theta_min      2.22
_cell_volume                     3049.3(9)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      295.00
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'Bruker SMART CCD 1K area detector'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0438
_diffrn_reflns_av_unetI/netI     0.0300
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            81949
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.452
_diffrn_reflns_theta_min         1.559
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_target            Mo
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    9.553
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.2312
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1654 before and 0.0616 after correction.
The Ratio of minimum to maximum transmission is 0.3101.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'metallic yellow'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.162
_exptl_crystal_description       block
_exptl_crystal_F_000             1872
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.127
_refine_diff_density_min         -2.047
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     729
_refine_ls_number_reflns         13875
_refine_ls_number_restraints     1020
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0420
_refine_ls_R_factor_gt           0.0302
_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)+(0.0140P)²+12.0594P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0609
_refine_ls_wR_factor_ref         0.0684
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11672
_reflns_number_total             13875
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt00346f2.cif
_cod_data_source_block           2b2pt_0m
_cod_depositor_comments
'Adding full bibliography for 7718485--7718490.cif.'
_cod_original_cell_volume        3049.3(8)
_cod_database_code               7718486
_shelx_shelxl_version_number     2019/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.420
_shelx_estimated_absorpt_t_min   0.348
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08 within 2A
3. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C7(H7), C8(H8), C9(H9), C10(H10), C15(H15),
 C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C27(H27),
  C28(H28), C29(H29), C30(H30), C33(H33), C34(H34), C35(H35), C36(H36),
 C45(H45), C48(H48), C39(H39), C42(H42)
4.b X=CH2 refined with riding coordinates:
 N5(H5A,H5B), N12(H12A,H12B)
4.c Idealised Me refined as rotating group:
 C43(H43A,H43B,H43C), C44(H44A,H44B,H44C), C46(H46A,H46B,H46C), C47(H47A,H47B,
 H47C), C37(H37A,H37B,H37C), C38(H38A,H38B,H38C), C40(H40A,H40B,H40C), C41(H41A,
 H41B,H41C)
;
_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.84146(2) 0.86119(2) 0.20353(2) 0.03504(5) Uani 1 1 d . . . . .
Pt2 Pt 1.08020(2) 0.69136(2) 0.23807(2) 0.03423(5) Uani 1 1 d . . . . .
Cl1 Cl 0.82632(19) 0.92023(15) 0.09637(11) 0.0788(6) Uani 1 1 d . . . . .
Cl2 Cl 0.88507(13) 0.73594(11) 0.10174(9) 0.0527(4) Uani 1 1 d . . . . .
Cl3 Cl 1.15680(11) 0.83766(9) 0.34217(9) 0.0482(3) Uani 1 1 d . . . . .
Cl4 Cl 1.23710(12) 0.68445(12) 0.18400(13) 0.0696(5) Uani 1 1 d . . . . .
N1 N 0.7947(4) 0.9662(3) 0.2952(3) 0.0379(9) Uani 1 1 d . U . . .
N2 N 0.8634(3) 0.8275(3) 0.3100(2) 0.0313(8) Uani 1 1 d . U . . .
N3 N 0.8855(3) 0.8794(3) 0.4558(3) 0.0323(8) Uani 1 1 d . U . . .
N4 N 0.9359(3) 0.6896(3) 0.2735(3) 0.0327(9) Uani 1 1 d . U . . .
N5 N 0.7610(4) 0.6015(3) 0.2349(3) 0.0514(13) Uani 1 1 d . U . . .
H5A H 0.739733 0.645499 0.273069 0.062 Uiso 1 1 calc R U . . .
H5B H 0.716749 0.549494 0.201899 0.062 Uiso 1 1 calc R U . . .
N6 N 1.0007(3) 0.5604(3) 0.1562(3) 0.0405(10) Uani 1 1 d . U . . .
C1 C 0.7537(5) 1.0301(4) 0.2789(4) 0.0516(15) Uani 1 1 d . U . . .
H1 H 0.754063 1.033310 0.223271 0.062 Uiso 1 1 calc R U . . .
C2 C 0.7110(6) 1.0915(5) 0.3422(4) 0.0611(17) Uani 1 1 d . U . . .
H2 H 0.684889 1.136579 0.329821 0.073 Uiso 1 1 calc R U . . .
C3 C 0.7071(5) 1.0855(4) 0.4238(4) 0.0571(16) Uani 1 1 d . U . . .
H3 H 0.675369 1.124388 0.466122 0.068 Uiso 1 1 calc R U . . .
C4 C 0.7509(5) 1.0211(4) 0.4425(4) 0.0439(12) Uani 1 1 d . U . . .
H4 H 0.749686 1.016566 0.497664 0.053 Uiso 1 1 calc R U . . .
C5 C 0.7967(4) 0.9634(3) 0.3779(3) 0.0340(10) Uani 1 1 d . U . . .
C6 C 0.8471(4) 0.8931(3) 0.3847(3) 0.0310(10) Uani 1 1 d . U . . .
C7 C 0.8992(4) 0.9342(4) 0.5455(3) 0.0405(12) Uani 1 1 d . U . . .
H7 H 0.873700 0.987788 0.566020 0.049 Uiso 1 1 calc R U . . .
C8 C 0.9498(5) 0.9082(4) 0.6019(4) 0.0494(14) Uani 1 1 d . U . . .
H8 H 0.959470 0.944844 0.661942 0.059 Uiso 1 1 calc R U . . .
C9 C 0.9892(5) 0.8260(4) 0.5723(4) 0.0501(14) Uani 1 1 d . U . . .
H9 H 1.023360 0.809026 0.612626 0.060 Uiso 1 1 calc R U . . .
C10 C 0.9765(5) 0.7732(4) 0.4851(4) 0.0446(12) Uani 1 1 d . U . . .
H10 H 1.001527 0.719293 0.465150 0.054 Uiso 1 1 calc R U . . .
C11 C 0.9253(4) 0.7996(3) 0.4243(3) 0.0330(10) Uani 1 1 d . U . . .
C12 C 0.9083(4) 0.7679(3) 0.3333(3) 0.0306(10) Uani 1 1 d . U . . .
C13 C 0.8609(4) 0.6135(3) 0.2270(3) 0.0353(10) Uani 1 1 d . U . . .
C14 C 0.8974(4) 0.5370(3) 0.1626(3) 0.0387(11) Uani 1 1 d . U . . .
C15 C 0.8348(5) 0.4479(4) 0.1143(5) 0.066(2) Uani 1 1 d . U . . .
H15 H 0.763955 0.432598 0.120126 0.080 Uiso 1 1 calc R U . . .
C16 C 0.8779(6) 0.3816(5) 0.0573(5) 0.081(3) Uani 1 1 d . U . . .
H16 H 0.836174 0.321531 0.023006 0.097 Uiso 1 1 calc R U . . .
C17 C 0.9826(6) 0.4050(5) 0.0517(5) 0.076(2) Uani 1 1 d . U . . .
H17 H 1.013544 0.360222 0.015168 0.091 Uiso 1 1 calc R U . . .
C18 C 1.0418(5) 0.4952(4) 0.1005(4) 0.0574(17) Uani 1 1 d . U . . .
H18 H 1.112568 0.511592 0.094694 0.069 Uiso 1 1 calc R U . . .
Pt3 Pt 0.41790(2) 0.13441(2) 0.29718(2) 0.04084(6) Uani 1 1 d . . . . .
Pt4 Pt 0.75657(2) 0.32028(2) 0.27648(2) 0.04180(6) Uani 1 1 d . . . . .
Cl5 Cl 0.36524(19) 0.08020(17) 0.40438(12) 0.0998(8) Uani 1 1 d . . . . .
Cl6 Cl 0.53349(14) 0.25915(11) 0.40467(9) 0.0600(4) Uani 1 1 d . . . . .
Cl7 Cl 0.76506(14) 0.18301(11) 0.16681(11) 0.0583(4) Uani 1 1 d . . . . .
Cl8 Cl 0.92652(15) 0.34266(16) 0.33443(15) 0.0830(6) Uani 1 1 d . . . . .
N8 N 0.3125(4) 0.0281(3) 0.2001(3) 0.0437(11) Uani 1 1 d . U . . .
N9 N 0.4602(3) 0.1657(3) 0.1916(3) 0.0359(9) Uani 1 1 d . U . . .
N10 N 0.4518(3) 0.1158(3) 0.0467(3) 0.0360(9) Uani 1 1 d . U . . .
N11 N 0.6050(3) 0.3077(3) 0.2372(3) 0.0392(10) Uani 1 1 d . U . . .
N12 N 0.4705(4) 0.3829(4) 0.2705(3) 0.0537(12) Uani 1 1 d . U . . .
H12A H 0.427078 0.338059 0.228034 0.064 Uiso 1 1 calc R U . . .
H12B H 0.450568 0.430881 0.303741 0.064 Uiso 1 1 calc R U . . .
N13 N 0.7361(4) 0.4401(3) 0.3664(3) 0.0461(11) Uani 1 1 d . U . . .
C19 C 0.8088(5) 0.5054(4) 0.4318(4) 0.0605(16) Uani 1 1 d . U . . .
H19 H 0.875737 0.496680 0.437361 0.073 Uiso 1 1 calc R U . . .
C20 C 0.7870(6) 0.5845(5) 0.4907(5) 0.0693(18) Uani 1 1 d . U . . .
H20 H 0.838414 0.627810 0.536209 0.083 Uiso 1 1 calc R U . . .
C21 C 0.6905(7) 0.6001(5) 0.4829(5) 0.074(2) Uani 1 1 d . U . . .
H21 H 0.675153 0.653829 0.522342 0.088 Uiso 1 1 calc R U . . .
C22 C 0.6158(6) 0.5337(4) 0.4149(4) 0.0615(17) Uani 1 1 d . U . . .
H22 H 0.549091 0.542338 0.408100 0.074 Uiso 1 1 calc R U . . .
C23 C 0.6404(5) 0.4547(4) 0.3570(4) 0.0447(12) Uani 1 1 d . U . . .
C24 C 0.5669(4) 0.3780(4) 0.2844(4) 0.0408(11) Uani 1 1 d . U . . .
C25 C 0.5366(4) 0.2275(3) 0.1732(3) 0.0359(10) Uani 1 1 d . U . . .
C26 C 0.5348(4) 0.1977(3) 0.0824(3) 0.0367(11) Uani 1 1 d . U . . .
C27 C 0.5975(5) 0.2281(4) 0.0252(4) 0.0444(12) Uani 1 1 d . U . . .
H27 H 0.651476 0.283450 0.047603 0.053 Uiso 1 1 calc R U . . .
C28 C 0.5784(5) 0.1762(4) -0.0623(4) 0.0502(14) Uani 1 1 d . U . . .
H28 H 0.619535 0.195669 -0.100402 0.060 Uiso 1 1 calc R U . . .
C29 C 0.4959(5) 0.0920(4) -0.0963(4) 0.0497(14) Uani 1 1 d . U . . .
H29 H 0.484569 0.055939 -0.156583 0.060 Uiso 1 1 calc R U . . .
C30 C 0.4333(5) 0.0630(4) -0.0430(3) 0.0435(12) Uani 1 1 d . U . . .
H30 H 0.378466 0.008361 -0.066270 0.052 Uiso 1 1 calc R U . . .
C31 C 0.4062(4) 0.0998(3) 0.1152(3) 0.0354(10) Uani 1 1 d . U . . .
C32 C 0.3178(4) 0.0280(4) 0.1172(3) 0.0381(11) Uani 1 1 d . U . . .
C33 C 0.2431(5) -0.0334(4) 0.0482(4) 0.0504(14) Uani 1 1 d . U . . .
H33 H 0.245904 -0.031531 -0.007810 0.060 Uiso 1 1 calc R U . . .
C34 C 0.1636(5) -0.0980(5) 0.0632(4) 0.0613(17) Uani 1 1 d . U . . .
H34 H 0.112039 -0.139883 0.017093 0.074 Uiso 1 1 calc R U . . .
C35 C 0.1602(6) -0.1008(5) 0.1456(5) 0.069(2) Uani 1 1 d . U . . .
H35 H 0.107681 -0.144947 0.156020 0.083 Uiso 1 1 calc R U . . .
C36 C 0.2363(5) -0.0368(5) 0.2127(4) 0.0613(18) Uani 1 1 d . U . . .
H36 H 0.234697 -0.038603 0.268848 0.074 Uiso 1 1 calc R U . . .
O4 O 0.6248(7) 0.4742(7) 0.6548(6) 0.168(4) Uani 1 1 d . U . . .
N15 N 0.7723(6) 0.4343(5) 0.6222(5) 0.0840(19) Uani 1 1 d . U . . .
C43 C 0.8294(10) 0.5075(9) 0.7019(9) 0.156(5) Uani 1 1 d . U . . .
H43A H 0.792915 0.556223 0.721817 0.234 Uiso 1 1 calc R U . . .
H43B H 0.898037 0.534059 0.690975 0.234 Uiso 1 1 calc R U . . .
H43C H 0.835692 0.481552 0.746291 0.234 Uiso 1 1 calc R U . . .
C44 C 0.8188(12) 0.3679(10) 0.5661(8) 0.169(5) Uani 1 1 d . U . . .
H44A H 0.812577 0.315530 0.584778 0.253 Uiso 1 1 calc R U . . .
H44B H 0.891533 0.397071 0.568088 0.253 Uiso 1 1 calc R U . . .
H44C H 0.784093 0.345554 0.506809 0.253 Uiso 1 1 calc R U . . .
C45 C 0.6748(9) 0.4273(7) 0.6083(7) 0.126(4) Uani 1 1 d . U . . .
H45 H 0.638467 0.380129 0.555822 0.152 Uiso 1 1 calc R U . . .
O3 O 0.3535(5) 0.2884(5) 0.6579(5) 0.111(2) Uani 1 1 d . U . . .
N16 N 0.4721(5) 0.2076(4) 0.6612(4) 0.0664(15) Uani 1 1 d . U . . .
C46 C 0.5461(9) 0.1594(9) 0.6141(7) 0.139(5) Uani 1 1 d . U . . .
H46A H 0.529388 0.143693 0.551933 0.208 Uiso 1 1 calc R U . . .
H46B H 0.542098 0.102441 0.625023 0.208 Uiso 1 1 calc R U . . .
H46C H 0.615787 0.200172 0.634032 0.208 Uiso 1 1 calc R U . . .
C47 C 0.4599(9) 0.2114(9) 0.7483(7) 0.128(4) Uani 1 1 d . U . . .
H47A H 0.398899 0.233056 0.765926 0.192 Uiso 1 1 calc R U . . .
H47B H 0.520728 0.254440 0.788175 0.192 Uiso 1 1 calc R U . . .
H47C H 0.451967 0.149397 0.749660 0.192 Uiso 1 1 calc R U . . .
C48 C 0.4182(6) 0.2478(5) 0.6264(5) 0.0677(19) Uani 1 1 d . U . . .
H48 H 0.430700 0.245298 0.570210 0.081 Uiso 1 1 calc R U . . .
O1 O 0.5919(4) 0.4573(3) 0.1169(3) 0.0685(13) Uani 1 1 d . U . . .
N7 N 0.4233(4) 0.4414(4) 0.0686(4) 0.0638(14) Uani 1 1 d . U . . .
C37 C 0.4156(6) 0.3571(6) -0.0094(5) 0.080(2) Uani 1 1 d . U . . .
H37A H 0.484723 0.351763 -0.022041 0.120 Uiso 1 1 calc R U . . .
H37B H 0.378186 0.361476 -0.058689 0.120 Uiso 1 1 calc R U . . .
H37C H 0.378882 0.302144 0.000843 0.120 Uiso 1 1 calc R U . . .
C38 C 0.3285(7) 0.4722(7) 0.0824(7) 0.102(3) Uani 1 1 d . U . . .
H38A H 0.274520 0.422972 0.088429 0.154 Uiso 1 1 calc R U . . .
H38B H 0.306454 0.485954 0.032844 0.154 Uiso 1 1 calc R U . . .
H38C H 0.341220 0.528209 0.135102 0.154 Uiso 1 1 calc R U . . .
C39 C 0.5096(6) 0.4806(5) 0.1236(5) 0.0672(18) Uani 1 1 d . U . . .
H39 H 0.508471 0.532446 0.173815 0.081 Uiso 1 1 calc R U . . .
O2 O 0.3015(5) 0.2705(5) 0.1432(4) 0.100(2) Uani 1 1 d . U . . .
N14 N 0.1466(6) 0.2058(5) 0.1733(5) 0.093(2) Uani 1 1 d . U . . .
C40 C 0.0419(10) 0.1479(13) 0.1425(10) 0.217(8) Uani 1 1 d . U . . .
H40A H -0.004347 0.187090 0.142104 0.326 Uiso 1 1 calc R U . . .
H40B H 0.020901 0.114875 0.181003 0.326 Uiso 1 1 calc R U . . .
H40C H 0.038688 0.102843 0.083819 0.326 Uiso 1 1 calc R U . . .
C41 C 0.1820(9) 0.2331(8) 0.2662(7) 0.121(4) Uani 1 1 d . U . . .
H41A H 0.246106 0.282499 0.283118 0.181 Uiso 1 1 calc R U . . .
H41B H 0.193855 0.179296 0.276592 0.181 Uiso 1 1 calc R U . . .
H41C H 0.129531 0.255678 0.300391 0.181 Uiso 1 1 calc R U . . .
C42 C 0.2115(7) 0.2307(7) 0.1224(5) 0.087(2) Uani 1 1 d . U . . .
H42 H 0.183971 0.215534 0.064206 0.104 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'
Cl Cl 0.1484 0.1585 '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'
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
Cl1 Pt1 Cl2 88.46(6) . . ?
N1 Pt1 Cl1 93.55(13) . . ?
N1 Pt1 Cl2 176.20(13) . . ?
N2 Pt1 Cl1 172.09(12) . . ?
N2 Pt1 Cl2 97.79(11) . . ?
N2 Pt1 N1 80.49(16) . . ?
Cl3 Pt2 Cl4 90.31(6) . . ?
N4 Pt2 Cl3 94.45(11) . . ?
N4 Pt2 Cl4 174.48(12) . . ?
N6 Pt2 Cl3 173.26(13) . . ?
N6 Pt2 Cl4 95.67(13) . . ?
N6 Pt2 N4 79.74(16) . . ?
C1 N1 Pt1 125.3(4) . . ?
C1 N1 C5 118.9(4) . . ?
C5 N1 Pt1 115.4(3) . . ?
C6 N2 Pt1 112.2(3) . . ?
C6 N2 C12 107.8(4) . . ?
C12 N2 Pt1 138.6(3) . . ?
C6 N3 C7 131.2(4) . . ?
C6 N3 C11 107.5(4) . . ?
C7 N3 C11 120.9(4) . . ?
C12 N4 Pt2 124.5(3) . . ?
C13 N4 Pt2 116.1(3) . . ?
C13 N4 C12 118.6(4) . . ?
H5A N5 H5B 120.0 . . ?
C13 N5 H5A 120.0 . . ?
C13 N5 H5B 120.0 . . ?
C14 N6 Pt2 115.1(3) . . ?
C18 N6 Pt2 126.0(4) . . ?
C18 N6 C14 118.8(5) . . ?
N1 C1 H1 119.0 . . ?
N1 C1 C2 121.9(5) . . ?
C2 C1 H1 119.0 . . ?
C1 C2 H2 120.2 . . ?
C3 C2 C1 119.5(6) . . ?
C3 C2 H2 120.2 . . ?
C2 C3 H3 120.3 . . ?
C2 C3 C4 119.4(5) . . ?
C4 C3 H3 120.3 . . ?
C3 C4 H4 120.5 . . ?
C3 C4 C5 119.0(5) . . ?
C5 C4 H4 120.5 . . ?
N1 C5 C4 121.1(5) . . ?
N1 C5 C6 111.5(4) . . ?
C4 C5 C6 127.4(5) . . ?
N2 C6 N3 109.7(4) . . ?
N2 C6 C5 118.9(4) . . ?
N3 C6 C5 131.5(4) . . ?
N3 C7 H7 120.7 . . ?
C8 C7 N3 118.7(5) . . ?
C8 C7 H7 120.7 . . ?
C7 C8 H8 119.1 . . ?
C7 C8 C9 121.9(5) . . ?
C9 C8 H8 119.1 . . ?
C8 C9 H9 120.3 . . ?
C10 C9 C8 119.3(5) . . ?
C10 C9 H9 120.3 . . ?
C9 C10 H10 120.0 . . ?
C9 C10 C11 120.0(5) . . ?
C11 C10 H10 120.0 . . ?
N3 C11 C10 119.2(4) . . ?
C12 C11 N3 106.1(4) . . ?
C12 C11 C10 134.6(5) . . ?
N2 C12 N4 124.7(4) . . ?
N2 C12 C11 108.8(4) . . ?
C11 C12 N4 126.4(4) . . ?
N4 C13 C14 114.5(4) . . ?
N5 C13 N4 125.7(4) . . ?
N5 C13 C14 119.9(5) . . ?
N6 C14 C13 114.2(4) . . ?
N6 C14 C15 121.4(5) . . ?
C15 C14 C13 124.4(5) . . ?
C14 C15 H15 120.3 . . ?
C14 C15 C16 119.3(6) . . ?
C16 C15 H15 120.3 . . ?
C15 C16 H16 120.4 . . ?
C17 C16 C15 119.3(6) . . ?
C17 C16 H16 120.4 . . ?
C16 C17 H17 120.4 . . ?
C16 C17 C18 119.3(6) . . ?
C18 C17 H17 120.4 . . ?
N6 C18 C17 122.0(6) . . ?
N6 C18 H18 119.0 . . ?
C17 C18 H18 119.0 . . ?
Cl5 Pt3 Cl6 87.55(6) . . ?
N8 Pt3 Cl5 93.99(13) . . ?
N8 Pt3 Cl6 177.30(14) . . ?
N9 Pt3 Cl5 172.95(13) . . ?
N9 Pt3 Cl6 98.52(12) . . ?
N9 Pt3 N8 80.09(17) . . ?
Cl7 Pt4 Cl8 90.03(7) . . ?
N11 Pt4 Cl7 94.76(13) . . ?
N11 Pt4 Cl8 174.60(13) . . ?
N13 Pt4 Cl7 174.49(15) . . ?
N13 Pt4 Cl8 95.37(15) . . ?
N13 Pt4 N11 79.89(18) . . ?
C32 N8 Pt3 115.9(3) . . ?
C36 N8 Pt3 125.0(4) . . ?
C36 N8 C32 119.0(5) . . ?
C25 N9 Pt3 138.4(3) . . ?
C31 N9 Pt3 112.2(3) . . ?
C31 N9 C25 108.7(4) . . ?
C30 N10 C26 120.8(4) . . ?
C31 N10 C26 107.9(4) . . ?
C31 N10 C30 131.2(5) . . ?
C24 N11 Pt4 115.1(4) . . ?
C24 N11 C25 118.8(5) . . ?
C25 N11 Pt4 125.7(3) . . ?
H12A N12 H12B 120.0 . . ?
C24 N12 H12A 120.0 . . ?
C24 N12 H12B 120.0 . . ?
C19 N13 Pt4 125.9(5) . . ?
C19 N13 C23 118.8(5) . . ?
C23 N13 Pt4 115.2(4) . . ?
N13 C19 H19 119.2 . . ?
N13 C19 C20 121.6(7) . . ?
C20 C19 H19 119.2 . . ?
C19 C20 H20 119.8 . . ?
C21 C20 C19 120.4(7) . . ?
C21 C20 H20 119.8 . . ?
C20 C21 H21 120.9 . . ?
C20 C21 C22 118.1(7) . . ?
C22 C21 H21 120.9 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 C21 119.9(7) . . ?
C23 C22 H22 120.0 . . ?
N13 C23 C22 121.0(5) . . ?
N13 C23 C24 114.0(5) . . ?
C22 C23 C24 124.9(6) . . ?
N11 C24 C23 115.7(5) . . ?
N12 C24 N11 124.7(5) . . ?
N12 C24 C23 119.6(5) . . ?
N9 C25 N11 124.1(4) . . ?
N9 C25 C26 109.0(4) . . ?
C26 C25 N11 126.9(5) . . ?
N10 C26 C27 119.2(5) . . ?
C25 C26 N10 105.6(4) . . ?
C25 C26 C27 135.1(5) . . ?
C26 C27 H27 120.3 . . ?
C28 C27 C26 119.5(5) . . ?
C28 C27 H27 120.3 . . ?
C27 C28 H28 119.9 . . ?
C27 C28 C29 120.1(5) . . ?
C29 C28 H28 119.9 . . ?
C28 C29 H29 119.4 . . ?
C30 C29 C28 121.3(5) . . ?
C30 C29 H29 119.4 . . ?
N10 C30 H30 120.5 . . ?
C29 C30 N10 119.1(5) . . ?
C29 C30 H30 120.5 . . ?
N9 C31 N10 108.8(4) . . ?
N9 C31 C32 119.4(4) . . ?
N10 C31 C32 131.8(5) . . ?
N8 C32 C31 111.5(4) . . ?
N8 C32 C33 121.0(5) . . ?
C33 C32 C31 127.4(5) . . ?
C32 C33 H33 120.5 . . ?
C32 C33 C34 118.9(6) . . ?
C34 C33 H33 120.5 . . ?
C33 C34 H34 119.9 . . ?
C35 C34 C33 120.2(6) . . ?
C35 C34 H34 119.9 . . ?
C34 C35 H35 120.8 . . ?
C34 C35 C36 118.5(6) . . ?
C36 C35 H35 120.8 . . ?
N8 C36 C35 122.3(6) . . ?
N8 C36 H36 118.9 . . ?
C35 C36 H36 118.9 . . ?
C44 N15 C43 121.8(10) . . ?
C45 N15 C43 116.8(9) . . ?
C45 N15 C44 121.1(10) . . ?
N15 C43 H43A 109.5 . . ?
N15 C43 H43B 109.5 . . ?
N15 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
N15 C44 H44A 109.5 . . ?
N15 C44 H44B 109.5 . . ?
N15 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
O4 C45 N15 127.4(10) . . ?
O4 C45 H45 116.3 . . ?
N15 C45 H45 116.3 . . ?
C47 N16 C46 119.2(8) . . ?
C48 N16 C46 121.4(7) . . ?
C48 N16 C47 119.4(7) . . ?
N16 C46 H46A 109.5 . . ?
N16 C46 H46B 109.5 . . ?
N16 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
N16 C47 H47A 109.5 . . ?
N16 C47 H47B 109.5 . . ?
N16 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
O3 C48 N16 127.8(8) . . ?
O3 C48 H48 116.1 . . ?
N16 C48 H48 116.1 . . ?
C38 N7 C37 115.5(7) . . ?
C39 N7 C37 120.2(6) . . ?
C39 N7 C38 124.1(7) . . ?
N7 C37 H37A 109.5 . . ?
N7 C37 H37B 109.5 . . ?
N7 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
N7 C38 H38A 109.5 . . ?
N7 C38 H38B 109.5 . . ?
N7 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
O1 C39 N7 127.6(7) . . ?
O1 C39 H39 116.2 . . ?
N7 C39 H39 116.2 . . ?
C40 N14 C41 115.9(10) . . ?
C42 N14 C40 124.2(10) . . ?
C42 N14 C41 119.9(8) . . ?
N14 C40 H40A 109.5 . . ?
N14 C40 H40B 109.5 . . ?
N14 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
N14 C41 H41A 109.5 . . ?
N14 C41 H41B 109.5 . . ?
N14 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
O2 C42 N14 126.4(9) . . ?
O2 C42 H42 116.8 . . ?
N14 C42 H42 116.8 . . ?
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 Cl1 2.2752(16) . ?
Pt1 Cl2 2.2821(13) . ?
Pt1 N1 2.028(4) . ?
Pt1 N2 2.019(4) . ?
Pt2 Cl3 2.2773(13) . ?
Pt2 Cl4 2.2982(15) . ?
Pt2 N4 2.013(4) . ?
Pt2 N6 2.010(4) . ?
N1 C1 1.336(7) . ?
N1 C5 1.369(6) . ?
N2 C6 1.349(6) . ?
N2 C12 1.362(6) . ?
N3 C6 1.355(6) . ?
N3 C7 1.390(6) . ?
N3 C11 1.400(6) . ?
N4 C12 1.403(6) . ?
N4 C13 1.317(6) . ?
N5 H5A 0.8600 . ?
N5 H5B 0.8600 . ?
N5 C13 1.308(7) . ?
N6 C14 1.349(7) . ?
N6 C18 1.340(6) . ?
C1 H1 0.9300 . ?
C1 C2 1.377(8) . ?
C2 H2 0.9300 . ?
C2 C3 1.374(9) . ?
C3 H3 0.9300 . ?
C3 C4 1.383(8) . ?
C4 H4 0.9300 . ?
C4 C5 1.384(7) . ?
C5 C6 1.441(7) . ?
C7 H7 0.9300 . ?
C7 C8 1.343(8) . ?
C8 H8 0.9300 . ?
C8 C9 1.429(8) . ?
C9 H9 0.9300 . ?
C9 C10 1.350(8) . ?
C10 H10 0.9300 . ?
C10 C11 1.407(7) . ?
C11 C12 1.383(7) . ?
C13 C14 1.477(6) . ?
C14 C15 1.374(7) . ?
C15 H15 0.9300 . ?
C15 C16 1.376(8) . ?
C16 H16 0.9300 . ?
C16 C17 1.365(10) . ?
C17 H17 0.9300 . ?
C17 C18 1.373(8) . ?
C18 H18 0.9300 . ?
Pt3 Cl5 2.2748(17) . ?
Pt3 Cl6 2.2825(15) . ?
Pt3 N8 2.027(4) . ?
Pt3 N9 2.024(4) . ?
Pt4 Cl7 2.2844(15) . ?
Pt4 Cl8 2.3015(19) . ?
Pt4 N11 2.022(5) . ?
Pt4 N13 2.011(5) . ?
N8 C32 1.361(6) . ?
N8 C36 1.337(7) . ?
N9 C25 1.355(6) . ?
N9 C31 1.344(6) . ?
N10 C26 1.400(6) . ?
N10 C30 1.382(6) . ?
N10 C31 1.368(6) . ?
N11 C24 1.318(7) . ?
N11 C25 1.399(6) . ?
N12 H12A 0.8600 . ?
N12 H12B 0.8600 . ?
N12 C24 1.310(7) . ?
N13 C19 1.343(7) . ?
N13 C23 1.348(7) . ?
C19 H19 0.9300 . ?
C19 C20 1.370(9) . ?
C20 H20 0.9300 . ?
C20 C21 1.361(10) . ?
C21 H21 0.9300 . ?
C21 C22 1.382(9) . ?
C22 H22 0.9300 . ?
C22 C23 1.379(8) . ?
C23 C24 1.468(7) . ?
C25 C26 1.387(7) . ?
C26 C27 1.410(7) . ?
C27 H27 0.9300 . ?
C27 C28 1.350(8) . ?
C28 H28 0.9300 . ?
C28 C29 1.417(8) . ?
C29 H29 0.9300 . ?
C29 C30 1.350(8) . ?
C30 H30 0.9300 . ?
C31 C32 1.435(7) . ?
C32 C33 1.370(7) . ?
C33 H33 0.9300 . ?
C33 C34 1.379(8) . ?
C34 H34 0.9300 . ?
C34 C35 1.366(9) . ?
C35 H35 0.9300 . ?
C35 C36 1.373(9) . ?
C36 H36 0.9300 . ?
O4 C45 1.191(11) . ?
N15 C43 1.428(13) . ?
N15 C44 1.398(12) . ?
N15 C45 1.273(11) . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45 0.9300 . ?
O3 C48 1.203(8) . ?
N16 C46 1.451(10) . ?
N16 C47 1.422(11) . ?
N16 C48 1.285(9) . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 H48 0.9300 . ?
O1 C39 1.220(8) . ?
N7 C37 1.451(9) . ?
N7 C38 1.440(9) . ?
N7 C39 1.300(9) . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 H39 0.9300 . ?
O2 C42 1.182(9) . ?
N14 C40 1.427(13) . ?
N14 C41 1.449(12) . ?
N14 C42 1.311(11) . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 H42 0.9300 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 N1 C1 C2 171.2(5) . . . . ?
Pt1 N1 C5 C4 -169.3(4) . . . . ?
Pt1 N1 C5 C6 8.6(6) . . . . ?
Pt1 N2 C6 N3 -166.0(3) . . . . ?
Pt1 N2 C6 C5 13.0(6) . . . . ?
Pt1 N2 C12 N4 -16.3(8) . . . . ?
Pt1 N2 C12 C11 161.4(4) . . . . ?
Pt2 N4 C12 N2 95.8(5) . . . . ?
Pt2 N4 C12 C11 -81.5(6) . . . . ?
Pt2 N4 C13 N5 -174.5(5) . . . . ?
Pt2 N4 C13 C14 6.6(6) . . . . ?
Pt2 N6 C14 C13 1.8(6) . . . . ?
Pt2 N6 C14 C15 -176.1(5) . . . . ?
Pt2 N6 C18 C17 175.0(6) . . . . ?
N1 C1 C2 C3 -2.0(11) . . . . ?
N1 C5 C6 N2 -14.5(7) . . . . ?
N1 C5 C6 N3 164.3(5) . . . . ?
N3 C7 C8 C9 -0.3(9) . . . . ?
N3 C11 C12 N2 2.0(5) . . . . ?
N3 C11 C12 N4 179.7(4) . . . . ?
N4 C13 C14 N6 -5.5(7) . . . . ?
N4 C13 C14 C15 172.4(6) . . . . ?
N5 C13 C14 N6 175.5(5) . . . . ?
N5 C13 C14 C15 -6.6(9) . . . . ?
N6 C14 C15 C16 -1.0(11) . . . . ?
C1 N1 C5 C4 4.3(8) . . . . ?
C1 N1 C5 C6 -177.7(5) . . . . ?
C1 C2 C3 C4 3.2(11) . . . . ?
C2 C3 C4 C5 -0.7(10) . . . . ?
C3 C4 C5 N1 -3.1(9) . . . . ?
C3 C4 C5 C6 179.3(6) . . . . ?
C4 C5 C6 N2 163.3(5) . . . . ?
C4 C5 C6 N3 -17.9(9) . . . . ?
C5 N1 C1 C2 -1.8(9) . . . . ?
C6 N2 C12 N4 179.2(4) . . . . ?
C6 N2 C12 C11 -3.1(5) . . . . ?
C6 N3 C7 C8 -173.1(5) . . . . ?
C6 N3 C11 C10 175.9(5) . . . . ?
C6 N3 C11 C12 -0.2(5) . . . . ?
C7 N3 C6 N2 171.0(5) . . . . ?
C7 N3 C6 C5 -7.9(9) . . . . ?
C7 N3 C11 C10 2.2(7) . . . . ?
C7 N3 C11 C12 -173.8(4) . . . . ?
C7 C8 C9 C10 0.7(9) . . . . ?
C8 C9 C10 C11 0.4(9) . . . . ?
C9 C10 C11 N3 -1.8(8) . . . . ?
C9 C10 C11 C12 172.8(6) . . . . ?
C10 C11 C12 N2 -173.1(6) . . . . ?
C10 C11 C12 N4 4.5(9) . . . . ?
C11 N3 C6 N2 -1.8(5) . . . . ?
C11 N3 C6 C5 179.4(5) . . . . ?
C11 N3 C7 C8 -1.1(8) . . . . ?
C12 N2 C6 N3 3.0(5) . . . . ?
C12 N2 C6 C5 -178.0(4) . . . . ?
C12 N4 C13 N5 -4.3(8) . . . . ?
C12 N4 C13 C14 176.8(4) . . . . ?
C13 N4 C12 N2 -73.6(6) . . . . ?
C13 N4 C12 C11 109.1(6) . . . . ?
C13 C14 C15 C16 -178.7(7) . . . . ?
C14 N6 C18 C17 -1.8(10) . . . . ?
C14 C15 C16 C17 1.8(13) . . . . ?
C15 C16 C17 C18 -2.5(14) . . . . ?
C16 C17 C18 N6 2.5(13) . . . . ?
C18 N6 C14 C13 178.9(5) . . . . ?
C18 N6 C14 C15 1.0(9) . . . . ?
Pt3 N8 C32 C31 6.0(6) . . . . ?
Pt3 N8 C32 C33 -172.2(4) . . . . ?
Pt3 N8 C36 C35 172.7(6) . . . . ?
Pt3 N9 C25 N11 -13.8(9) . . . . ?
Pt3 N9 C25 C26 166.2(4) . . . . ?
Pt3 N9 C31 N10 -168.8(3) . . . . ?
Pt3 N9 C31 C32 10.3(6) . . . . ?
Pt4 N11 C24 N12 -179.2(4) . . . . ?
Pt4 N11 C24 C23 0.7(6) . . . . ?
Pt4 N11 C25 N9 103.8(5) . . . . ?
Pt4 N11 C25 C26 -76.2(6) . . . . ?
Pt4 N13 C19 C20 -179.3(5) . . . . ?
Pt4 N13 C23 C22 179.3(5) . . . . ?
Pt4 N13 C23 C24 2.3(6) . . . . ?
N8 C32 C33 C34 -2.2(9) . . . . ?
N9 C25 C26 N10 1.2(6) . . . . ?
N9 C25 C26 C27 -175.0(6) . . . . ?
N9 C31 C32 N8 -10.9(7) . . . . ?
N9 C31 C32 C33 167.1(6) . . . . ?
N10 C26 C27 C28 -2.0(8) . . . . ?
N10 C31 C32 N8 167.9(5) . . . . ?
N10 C31 C32 C33 -14.1(10) . . . . ?
N11 C25 C26 N10 -178.8(5) . . . . ?
N11 C25 C26 C27 5.0(10) . . . . ?
N13 C19 C20 C21 -1.5(11) . . . . ?
N13 C23 C24 N11 -2.0(7) . . . . ?
N13 C23 C24 N12 177.9(5) . . . . ?
C19 N13 C23 C22 -2.0(9) . . . . ?
C19 N13 C23 C24 -179.0(5) . . . . ?
C19 C20 C21 C22 0.5(12) . . . . ?
C20 C21 C22 C23 -0.3(11) . . . . ?
C21 C22 C23 N13 1.0(10) . . . . ?
C21 C22 C23 C24 177.7(6) . . . . ?
C22 C23 C24 N11 -178.9(6) . . . . ?
C22 C23 C24 N12 1.0(9) . . . . ?
C23 N13 C19 C20 2.2(10) . . . . ?
C24 N11 C25 N9 -67.8(7) . . . . ?
C24 N11 C25 C26 112.2(6) . . . . ?
C25 N9 C31 N10 3.4(6) . . . . ?
C25 N9 C31 C32 -177.5(5) . . . . ?
C25 N11 C24 N12 -6.7(8) . . . . ?
C25 N11 C24 C23 173.1(5) . . . . ?
C25 C26 C27 C28 173.8(6) . . . . ?
C26 N10 C30 C29 -0.6(8) . . . . ?
C26 N10 C31 N9 -2.7(6) . . . . ?
C26 N10 C31 C32 178.5(5) . . . . ?
C26 C27 C28 C29 0.2(9) . . . . ?
C27 C28 C29 C30 1.6(9) . . . . ?
C28 C29 C30 N10 -1.3(9) . . . . ?
C30 N10 C26 C25 -174.7(5) . . . . ?
C30 N10 C26 C27 2.3(7) . . . . ?
C30 N10 C31 N9 172.2(5) . . . . ?
C30 N10 C31 C32 -6.6(10) . . . . ?
C31 N9 C25 N11 177.1(5) . . . . ?
C31 N9 C25 C26 -2.9(6) . . . . ?
C31 N10 C26 C25 0.9(6) . . . . ?
C31 N10 C26 C27 177.8(5) . . . . ?
C31 N10 C30 C29 -174.9(5) . . . . ?
C31 C32 C33 C34 179.9(6) . . . . ?
C32 N8 C36 C35 -3.0(10) . . . . ?
C32 C33 C34 C35 -0.4(11) . . . . ?
C33 C34 C35 C36 1.3(12) . . . . ?
C34 C35 C36 N8 0.5(12) . . . . ?
C36 N8 C32 C31 -177.9(5) . . . . ?
C36 N8 C32 C33 3.9(9) . . . . ?
C43 N15 C45 O4 -1(2) . . . . ?
C44 N15 C45 O4 173.3(13) . . . . ?
C46 N16 C48 O3 178.6(10) . . . . ?
C47 N16 C48 O3 -2.2(14) . . . . ?
C37 N7 C39 O1 3.2(12) . . . . ?
C38 N7 C39 O1 178.7(8) . . . . ?
C40 N14 C42 O2 -172.2(13) . . . . ?
C41 N14 C42 O2 4.5(16) . . . . ?
