#------------------------------------------------------------------------------
#$Date: 2019-11-10 19:43:32 +0200 (Sun, 10 Nov 2019) $
#$Revision: 226075 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/60/4516049.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_4516049
loop_
_publ_author_name
'Mishra, Vishwesh'
'Thirupathi, Natesan'
_publ_section_title
;
 Critical Role of Anions in Platinum(II) Precursors upon the Structural
 Motifs of Six-Membered Cycloplatinated
 N,N',N″-Triarylguanidines.
;
_journal_issue                   6
_journal_name_full               'ACS omega'
_journal_page_first              6075
_journal_page_last               6090
_journal_paper_doi               10.1021/acsomega.8b00782
_journal_volume                  3
_journal_year                    2018
_chemical_formula_moiety         'C57 H64 Cl2 N6 Pt2'
_chemical_formula_sum            'C57 H64 Cl2 N6 Pt2'
_chemical_formula_weight         1294.22
_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
_audit_creation_method           SHELXL-2017/1
_cell_angle_alpha                99.0250(10)
_cell_angle_beta                 105.146(2)
_cell_angle_gamma                106.101(2)
_cell_formula_units_Z            2
_cell_length_a                   11.4693(3)
_cell_length_b                   15.1911(3)
_cell_length_c                   16.1768(3)
_cell_measurement_reflns_used    13449
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1040
_cell_measurement_theta_min      3.2040
_cell_volume                     2532.71(11)
_computing_cell_refinement       'CrysAlisPro, Oxford Diffraction Ltd.'
_computing_data_collection       'CrysAlisPro, Oxford Diffraction Ltd.'
_computing_data_reduction        'CrysAlisPro, Oxford Diffraction Ltd.'
_computing_molecular_graphics    Olex2
_computing_publication_material  'WINGX 2014'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXS-2016 (Sheldrick, 2016)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 15.9853
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0337
_diffrn_reflns_av_unetI/netI     0.0384
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            35269
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_min         3.118
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    5.667
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.53804
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.697
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1276
_exptl_crystal_size_max          0.020
_exptl_crystal_size_mid          0.010
_exptl_crystal_size_min          0.005
_refine_diff_density_max         1.365
_refine_diff_density_min         -1.111
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     641
_refine_ls_number_reflns         10346
_refine_ls_number_restraints     282
_refine_ls_restrained_S_all      1.201
_refine_ls_R_factor_all          0.0520
_refine_ls_R_factor_gt           0.0340
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0370P)²+4.7513P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0777
_refine_ls_wR_factor_ref         0.0861
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8213
_reflns_number_total             10346
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ao8b00782_si_002.cif
_cod_data_source_block           Complex-11
_cod_original_cell_volume        2532.70(10)
_cod_database_code               4516049
_shelx_shelxl_version_number     2017/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.895
_shelx_estimated_absorpt_t_max   0.972
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
Pt2 Pt 0.37177(2) 0.73962(2) 0.32851(2) 0.03231(7) Uani 1 1 d . . . . .
Pt1 Pt 0.33587(2) 0.56026(2) 0.16020(2) 0.03294(7) Uani 1 1 d . . . . .
Cl1 Cl 0.42061(15) 0.73390(10) 0.19742(9) 0.0423(3) Uani 1 1 d . . . . .
Cl2 Cl 0.41570(15) 0.59012(9) 0.31316(8) 0.0410(3) Uani 1 1 d . . . . .
N1 N 0.2850(5) 0.5452(4) 0.0287(3) 0.0450(12) Uani 1 1 d . . . . .
N2 N 0.2551(5) 0.4681(4) -0.1154(3) 0.0574(15) Uani 1 1 d . . . . .
H2 H 0.281124 0.521500 -0.128110 0.069 Uiso 1 1 calc R U . . .
N3 N 0.2551(6) 0.3884(4) -0.0106(3) 0.0529(14) Uani 1 1 d . . . . .
H3 H 0.270269 0.348393 -0.046599 0.064 Uiso 1 1 calc DR U . . .
N4 N 0.3383(5) 0.7361(3) 0.4440(3) 0.0362(11) Uani 1 1 d . . . . .
N5 N 0.3509(6) 0.8054(4) 0.5862(3) 0.0511(14) Uani 1 1 d . . . . .
H5 H 0.368154 0.759217 0.605268 0.061 Uiso 1 1 calc R U . . .
N6 N 0.3706(5) 0.8957(3) 0.4869(3) 0.0463(13) Uani 1 1 d . . . . .
H6 H 0.414858 0.943746 0.530833 0.056 Uiso 1 1 calc DR U . . .
C1 C 0.2628(6) 0.4683(5) -0.0303(4) 0.0441(14) Uani 1 1 d . . . . .
C10 C 0.2055(7) 0.3828(5) -0.1861(4) 0.0525(17) Uani 1 1 d . . . . .
C11 C 0.2902(6) 0.3509(4) -0.2171(4) 0.0445(14) Uani 1 1 d . . . . .
H11 H 0.377584 0.384268 -0.194177 0.053 Uiso 1 1 calc R U . . .
C12 C 0.2435(7) 0.2677(5) -0.2834(4) 0.0510(16) Uani 1 1 d . . . . .
H12 H 0.300787 0.245707 -0.304690 0.061 Uiso 1 1 calc R U . . .
C13 C 0.1153(7) 0.2174(5) -0.3181(4) 0.0538(17) Uani 1 1 d . . . . .
C14 C 0.0346(8) 0.2517(6) -0.2852(5) 0.079(3) Uani 1 1 d . . . . .
H14 H -0.052621 0.217559 -0.307753 0.094 Uiso 1 1 calc R U . . .
C15 C 0.0756(7) 0.3360(6) -0.2191(5) 0.079(3) Uani 1 1 d . . . . .
C16 C 0.0655(9) 0.1256(5) -0.3887(5) 0.077(2) Uani 1 1 d . . . . .
H16A H 0.135917 0.112799 -0.403628 0.115 Uiso 1 1 calc R U . . .
H16B H 0.022855 0.074964 -0.367010 0.115 Uiso 1 1 calc R U . . .
H16C H 0.006272 0.130953 -0.440401 0.115 Uiso 1 1 calc R U . . .
C17 C -0.0197(9) 0.3654(8) -0.1840(7) 0.154(6) Uani 1 1 d . . . . .
H17A H -0.104402 0.322568 -0.217023 0.230 Uiso 1 1 calc R U . . .
H17B H -0.001503 0.364195 -0.122856 0.230 Uiso 1 1 calc DR U . . .
H17C H -0.014449 0.428264 -0.189507 0.230 Uiso 1 1 calc R U . . .
C18 C 0.2246(5) 0.3560(4) 0.0631(4) 0.0417(14) Uani 1 1 d . . . . .
C19 C 0.2540(6) 0.4230(4) 0.1435(4) 0.0384(13) Uani 1 1 d . . . . .
C20 C 0.2155(7) 0.3866(4) 0.2106(4) 0.0480(15) Uani 1 1 d . . . . .
H20 H 0.230060 0.429000 0.263341 0.058 Uiso 1 1 calc R U . . .
C21 C 0.1574(7) 0.2915(5) 0.2024(5) 0.0587(18) Uani 1 1 d . . . . .
C22 C 0.1376(8) 0.2294(5) 0.1240(5) 0.066(2) Uani 1 1 d . . . . .
H22 H 0.102438 0.164840 0.118147 0.079 Uiso 1 1 calc R U . . .
C23 C 0.1684(7) 0.2600(5) 0.0537(5) 0.0549(17) Uani 1 1 d . . . . .
C24 C 0.1175(10) 0.2574(5) 0.2771(5) 0.088(3) Uani 1 1 d . . . . .
H24A H 0.139044 0.310582 0.325778 0.132 Uiso 1 1 calc R U . . .
H24B H 0.026752 0.224861 0.257061 0.132 Uiso 1 1 calc R U . . .
H24C H 0.161591 0.215093 0.295946 0.132 Uiso 1 1 calc R U . . .
C25 C 0.1323(9) 0.1816(5) -0.0324(5) 0.086(3) Uani 1 1 d . . . . .
H25A H 0.157482 0.209869 -0.076792 0.129 Uiso 1 1 calc DR U . . .
H25B H 0.175808 0.137130 -0.019941 0.129 Uiso 1 1 calc R U . . .
H25C H 0.041404 0.149366 -0.053275 0.129 Uiso 1 1 calc R U . . .
C26 C 0.3502(6) 0.8107(4) 0.5041(4) 0.0416(14) Uani 1 1 d . . . . .
C27 C 0.3113(6) 0.6469(4) 0.4684(3) 0.0346(12) Uani 1 1 d . . . . .
C28 C 0.1874(6) 0.5857(4) 0.4413(4) 0.0427(14) Uani 1 1 d D . . . .
C29 C 0.1626(7) 0.5021(4) 0.4674(4) 0.0492(16) Uani 1 1 d . . . . .
H29 H 0.078483 0.461532 0.450385 0.059 Uiso 1 1 calc R U . . .
C30 C 0.2604(7) 0.4765(4) 0.5188(4) 0.0489(16) Uani 1 1 d . . . . .
C31 C 0.3830(7) 0.5386(4) 0.5422(4) 0.0470(15) Uani 1 1 d . . . . .
H31 H 0.449589 0.522332 0.575513 0.056 Uiso 1 1 calc R U . . .
C32 C 0.4132(6) 0.6242(4) 0.5189(3) 0.0393(13) Uani 1 1 d D . . . .
C33 C 0.2309(8) 0.3867(5) 0.5500(5) 0.073(2) Uani 1 1 d . . . . .
H33A H 0.140412 0.352985 0.526801 0.110 Uiso 1 1 calc R U . . .
H33B H 0.275994 0.347834 0.529646 0.110 Uiso 1 1 calc R U . . .
H33C H 0.257553 0.402134 0.613421 0.110 Uiso 1 1 calc R U . . .
C34 C 0.5462(9) 0.6864(6) 0.5455(6) 0.049(2) Uiso 0.7 1 d D . P . .
C34' C 0.0830(17) 0.5984(13) 0.3801(12) 0.042(4) Uiso 0.3 1 d D . P . .
C35 C 0.3240(7) 0.8739(4) 0.6437(4) 0.0427(15) Uani 1 1 d . . . . .
C36 C 0.4228(8) 0.9482(5) 0.7023(5) 0.071(2) Uani 1 1 d . . . . .
H36 H 0.506589 0.954007 0.704737 0.086 Uiso 1 1 calc R U . . .
C37 C 0.3995(9) 1.0149(5) 0.7580(5) 0.075(2) Uani 1 1 d . . . . .
H37 H 0.467579 1.066823 0.795947 0.089 Uiso 1 1 calc R U . . .
C38 C 0.2790(8) 1.0057(4) 0.7581(4) 0.0549(19) Uani 1 1 d . . . . .
C39 C 0.1798(8) 0.9311(5) 0.6981(4) 0.0575(18) Uani 1 1 d . . . . .
H39 H 0.096153 0.925536 0.695932 0.069 Uiso 1 1 calc R U . . .
C40 C 0.2007(7) 0.8631(4) 0.6402(4) 0.0482(16) Uani 1 1 d . . . . .
C41 C 0.2543(10) 1.0760(5) 0.8229(5) 0.078(3) Uani 1 1 d . . . . .
H41A H 0.163893 1.058739 0.813644 0.117 Uiso 1 1 calc R U . . .
H41B H 0.297892 1.075690 0.882161 0.117 Uiso 1 1 calc R U . . .
H41C H 0.285375 1.138120 0.813977 0.117 Uiso 1 1 calc R U . . .
C42 C 0.0901(8) 0.7815(6) 0.5757(5) 0.085(3) Uani 1 1 d . . . . .
H42A H 0.011299 0.785848 0.582998 0.128 Uiso 1 1 calc R U . . .
H42B H 0.088936 0.783630 0.516486 0.128 Uiso 1 1 calc R U . . .
H42C H 0.099548 0.723122 0.586463 0.128 Uiso 1 1 calc R U . . .
C43 C 0.3263(6) 0.9149(4) 0.4028(4) 0.0408(13) Uani 1 1 d . . . . .
C44 C 0.3244(5) 0.8548(4) 0.3258(4) 0.0359(12) Uani 1 1 d . . . . .
C45 C 0.2770(6) 0.8782(4) 0.2462(4) 0.0433(14) Uani 1 1 d . . . . .
H45 H 0.269872 0.838612 0.193749 0.052 Uiso 1 1 calc R U . . .
C46 C 0.2403(7) 0.9577(4) 0.2420(5) 0.0545(17) Uani 1 1 d . . . . .
C47 C 0.2508(7) 1.0159(4) 0.3201(5) 0.0560(18) Uani 1 1 d . . . . .
H47 H 0.229114 1.070270 0.318032 0.067 Uiso 1 1 calc R U . . .
C48 C 0.2926(6) 0.9964(4) 0.4017(4) 0.0492(16) Uani 1 1 d . . . . .
C49 C 0.1973(8) 0.9819(5) 0.1550(5) 0.078(3) Uani 1 1 d . . . . .
H49A H 0.195751 0.933624 0.108310 0.117 Uiso 1 1 calc R U . . .
H49B H 0.112995 0.986123 0.145115 0.117 Uiso 1 1 calc R U . . .
H49C H 0.255774 1.041532 0.156149 0.117 Uiso 1 1 calc R U . . .
C50 C 0.2918(7) 1.0627(4) 0.4836(5) 0.063(2) Uani 1 1 d . . . . .
H50A H 0.322660 1.041459 0.535221 0.095 Uiso 1 1 calc DR U . . .
H50B H 0.346206 1.125783 0.489900 0.095 Uiso 1 1 calc R U . . .
H50C H 0.205944 1.062424 0.476742 0.095 Uiso 1 1 calc R U . . .
C2 C 0.2699(12) 0.6284(10) -0.0014(8) 0.046(3) Uani 0.612(12) 1 d D U P A 1
C3 C 0.1531(15) 0.6444(10) -0.0148(6) 0.058(3) Uani 0.612(12) 1 d D U P A 1
H3A H 0.082526 0.601956 -0.007847 0.069 Uiso 0.612(12) 1 calc R U P A 1
C4 C 0.1484(14) 0.7278(8) -0.0392(6) 0.077(4) Uani 0.612(12) 1 d D U P A 1
H4 H 0.071941 0.740711 -0.049398 0.093 Uiso 0.612(12) 1 calc R U P A 1
C5 C 0.2527(14) 0.7919(11) -0.0489(11) 0.077(4) Uani 0.612(12) 1 d D U P A 1
C6 C 0.3678(15) 0.7741(9) -0.0338(11) 0.061(4) Uani 0.612(12) 1 d D U P A 1
H6A H 0.438742 0.817447 -0.039500 0.074 Uiso 0.612(12) 1 calc R U P A 1
C7 C 0.3773(13) 0.6912(8) -0.0100(9) 0.052(3) Uani 0.612(12) 1 d D U P A 1
C8 C 0.247(2) 0.8818(11) -0.0732(11) 0.119(7) Uani 0.612(12) 1 d D U P A 1
H8A H 0.328335 0.916636 -0.076718 0.179 Uiso 0.612(12) 1 calc R U P A 1
H8B H 0.182061 0.867460 -0.129473 0.179 Uiso 0.612(12) 1 calc R U P A 1
H8C H 0.226050 0.918969 -0.029100 0.179 Uiso 0.612(12) 1 calc R U P A 1
C9 C 0.4989(12) 0.6709(9) 0.0047(9) 0.050(3) Uani 0.612(12) 1 d D U P A 1
H9A H 0.562104 0.721771 -0.004089 0.076 Uiso 0.612(12) 1 calc R U P A 1
H9B H 0.528237 0.664572 0.064043 0.076 Uiso 0.612(12) 1 calc R U P A 1
H9C H 0.485220 0.613083 -0.036264 0.076 Uiso 0.612(12) 1 calc R U P A 1
C2' C 0.3183(19) 0.6288(17) 0.0001(14) 0.043(5) Uani 0.388(12) 1 d D U P A 2
C3' C 0.436(2) 0.6766(14) -0.0055(15) 0.059(6) Uani 0.388(12) 1 d D U P A 2
H3' H 0.500253 0.649623 0.007508 0.071 Uiso 0.388(12) 1 calc R U P A 2
C4' C 0.466(2) 0.7616(13) -0.0289(12) 0.076(6) Uani 0.388(12) 1 d D U P A 2
H4' H 0.546081 0.789161 -0.033475 0.091 Uiso 0.388(12) 1 calc R U P A 2
C5' C 0.374(2) 0.805(2) -0.046(2) 0.094(8) Uani 0.388(12) 1 d D U P A 2
C6' C 0.257(3) 0.7566(16) -0.0398(18) 0.085(7) Uani 0.388(12) 1 d D U P A 2
H6' H 0.195432 0.786263 -0.047125 0.102 Uiso 0.388(12) 1 calc R U P A 2
C7' C 0.223(2) 0.6673(15) -0.0239(12) 0.061(5) Uani 0.388(12) 1 d D U P A 2
C8' C 0.393(4) 0.8904(19) -0.0740(18) 0.145(13) Uani 0.388(12) 1 d D U P A 2
H8'1 H 0.317363 0.907869 -0.081493 0.217 Uiso 0.388(12) 1 calc R U P A 2
H8'2 H 0.464516 0.939789 -0.030455 0.217 Uiso 0.388(12) 1 calc R U P A 2
H8'3 H 0.410017 0.881243 -0.129203 0.217 Uiso 0.388(12) 1 calc R U P A 2
C9' C 0.115(2) 0.6551(15) 0.0040(17) 0.120(11) Uani 0.388(12) 1 d D U P A 2
H9'1 H 0.064768 0.690113 -0.023104 0.179 Uiso 0.388(12) 1 calc R U P A 2
H9'2 H 0.064927 0.589251 -0.012752 0.179 Uiso 0.388(12) 1 calc R U P A 2
H9'3 H 0.142283 0.677711 0.067129 0.179 Uiso 0.388(12) 1 calc DR U P A 2
C51 C 0.5255(9) 0.7485(6) 0.7659(6) 0.075(2) Uiso 1 1 d . . . B 2
C52 C 0.5116(16) 0.6815(12) 0.7736(10) 0.151(5) Uiso 1 1 d . . . B 2
C53 C 0.387(5) 0.685(3) 0.728(3) 0.48(3) Uiso 1 1 d . . . B 2
C54 C 0.214(2) 0.6346(15) 0.6721(14) 0.220(8) Uiso 1 1 d . . . B 2
C55 C 0.168(2) 0.6201(15) 0.7516(15) 0.239(9) Uiso 1 1 d . . . B 2
C56 C 0.2816(9) 0.5963(6) -0.2594(6) 0.073(2) Uiso 1 1 d . . . C 2
C57 C 0.4361(14) 0.5925(10) -0.2262(9) 0.135(4) Uiso 1 1 d . . . C 2
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'
Cl Cl 0.1484 0.1585 '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
C44 Pt2 N4 90.6(2) . .
C44 Pt2 Cl1 94.53(17) . .
N4 Pt2 Cl1 174.70(13) . .
C44 Pt2 Cl2 173.19(16) . .
N4 Pt2 Cl2 94.40(13) . .
Cl1 Pt2 Cl2 80.62(5) . .
C44 Pt2 Pt1 130.01(16) . .
N4 Pt2 Pt1 130.02(12) . .
Cl1 Pt2 Pt1 46.52(3) . .
Cl2 Pt2 Pt1 43.32(3) . .
C19 Pt1 N1 91.0(2) . .
C19 Pt1 Cl2 94.07(16) . .
N1 Pt1 Cl2 173.65(16) . .
C19 Pt1 Cl1 171.28(17) . .
N1 Pt1 Cl1 94.97(15) . .
Cl2 Pt1 Cl1 80.47(5) . .
C19 Pt1 Pt2 128.34(16) . .
N1 Pt1 Pt2 131.77(14) . .
Cl2 Pt1 Pt2 46.30(3) . .
Cl1 Pt1 Pt2 43.36(3) . .
Pt2 Cl1 Pt1 90.12(5) . .
Pt1 Cl2 Pt2 90.38(4) . .
C1 N1 C2' 114.5(10) . .
C1 N1 C2 118.7(6) . .
C1 N1 Pt1 125.6(4) . .
C2' N1 Pt1 116.2(9) . .
C2 N1 Pt1 115.7(5) . .
C1 N2 C10 123.5(6) . .
C1 N2 H2 118.2 . .
C10 N2 H2 118.2 . .
C1 N3 C18 129.6(5) . .
C1 N3 H3 115.2 . .
C18 N3 H3 115.2 . .
C26 N4 C27 116.2(4) . .
C26 N4 Pt2 125.3(4) . .
C27 N4 Pt2 118.2(3) . .
C26 N5 C35 122.7(5) . .
C26 N5 H5 118.7 . .
C35 N5 H5 118.7 . .
C26 N6 C43 126.6(5) . .
C26 N6 H6 116.7 . .
C43 N6 H6 116.7 . .
N3 C1 N1 122.4(5) . .
N3 C1 N2 115.2(5) . .
N1 C1 N2 122.2(6) . .
C11 C10 C15 122.1(6) . .
C11 C10 N2 118.6(6) . .
C15 C10 N2 119.2(6) . .
C10 C11 C12 119.0(6) . .
C10 C11 H11 120.5 . .
C12 C11 H11 120.5 . .
C13 C12 C11 121.5(6) . .
C13 C12 H12 119.2 . .
C11 C12 H12 119.2 . .
C14 C13 C12 117.5(6) . .
C14 C13 C16 121.2(7) . .
C12 C13 C16 121.2(7) . .
C13 C14 C15 123.7(7) . .
C13 C14 H14 118.2 . .
C15 C14 H14 118.2 . .
C10 C15 C14 116.2(7) . .
C10 C15 C17 123.9(7) . .
C14 C15 C17 119.7(7) . .
C13 C16 H16A 109.5 . .
C13 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C13 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C15 C17 H17A 109.5 . .
C15 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C15 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C23 C18 C19 121.5(6) . .
C23 C18 N3 119.2(5) . .
C19 C18 N3 119.2(5) . .
C20 C19 C18 115.9(5) . .
C20 C19 Pt1 121.2(4) . .
C18 C19 Pt1 122.8(4) . .
C21 C20 C19 123.7(6) . .
C21 C20 H20 118.2 . .
C19 C20 H20 118.2 . .
C22 C21 C20 117.5(6) . .
C22 C21 C24 121.7(6) . .
C20 C21 C24 120.9(6) . .
C21 C22 C23 122.2(6) . .
C21 C22 H22 118.9 . .
C23 C22 H22 118.9 . .
C22 C23 C18 119.1(6) . .
C22 C23 C25 115.9(6) . .
C18 C23 C25 125.0(6) . .
C21 C24 H24A 109.5 . .
C21 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C21 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C23 C25 H25A 109.5 . .
C23 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C23 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
N4 C26 N6 120.8(5) . .
N4 C26 N5 121.7(5) . .
N6 C26 N5 117.4(5) . .
C28 C27 C32 121.2(5) . .
C28 C27 N4 119.9(5) . .
C32 C27 N4 118.9(5) . .
C27 C28 C29 119.2(6) . .
C27 C28 C34' 123.7(9) . .
C29 C28 C34' 116.8(10) . .
C28 C29 C30 121.9(6) . .
C28 C29 H29 119.0 . .
C30 C29 H29 119.0 . .
C31 C30 C29 116.9(6) . .
C31 C30 C33 121.9(6) . .
C29 C30 C33 121.1(6) . .
C30 C31 C32 123.6(6) . .
C30 C31 H31 118.2 . .
C32 C31 H31 118.2 . .
C31 C32 C27 117.1(6) . .
C31 C32 C34 120.6(6) . .
C27 C32 C34 122.3(6) . .
C30 C33 H33A 109.5 . .
C30 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C30 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C36 C35 C40 120.7(6) . .
C36 C35 N5 119.3(6) . .
C40 C35 N5 120.0(6) . .
C35 C36 C37 120.4(8) . .
C35 C36 H36 119.8 . .
C37 C36 H36 119.8 . .
C38 C37 C36 120.8(7) . .
C38 C37 H37 119.6 . .
C36 C37 H37 119.6 . .
C37 C38 C39 118.3(6) . .
C37 C38 C41 120.7(7) . .
C39 C38 C41 121.0(8) . .
C38 C39 C40 121.9(7) . .
C38 C39 H39 119.0 . .
C40 C39 H39 119.0 . .
C35 C40 C39 117.8(6) . .
C35 C40 C42 121.5(6) . .
C39 C40 C42 120.7(7) . .
C38 C41 H41A 109.5 . .
C38 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
C38 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
C40 C42 H42A 109.5 . .
C40 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C40 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
C48 C43 C44 122.9(6) . .
C48 C43 N6 117.3(5) . .
C44 C43 N6 119.7(5) . .
C45 C44 C43 115.6(5) . .
C45 C44 Pt2 121.7(4) . .
C43 C44 Pt2 122.5(4) . .
C46 C45 C44 123.2(6) . .
C46 C45 H45 118.4 . .
C44 C45 H45 118.4 . .
C47 C46 C45 118.1(6) . .
C47 C46 C49 121.2(6) . .
C45 C46 C49 120.6(6) . .
C46 C47 C48 122.6(6) . .
C46 C47 H47 118.7 . .
C48 C47 H47 118.7 . .
C47 C48 C43 117.4(6) . .
C47 C48 C50 118.0(6) . .
C43 C48 C50 124.5(6) . .
C46 C49 H49A 109.5 . .
C46 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
C46 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
C48 C50 H50A 109.5 . .
C48 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
C48 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
C7 C2 C3 123.2(13) . .
C7 C2 N1 117.1(10) . .
C3 C2 N1 119.6(10) . .
C2 C3 C4 116.1(14) . .
C2 C3 H3A 122.0 . .
C4 C3 H3A 122.0 . .
C5 C4 C3 122.6(12) . .
C5 C4 H4 118.7 . .
C3 C4 H4 118.7 . .
C4 C5 C6 119.6(12) . .
C4 C5 C8 121.9(13) . .
C6 C5 C8 118.5(14) . .
C5 C6 C7 120.1(13) . .
C5 C6 H6A 120.0 . .
C7 C6 H6A 120.0 . .
C2 C7 C6 118.5(12) . .
C2 C7 C9 121.1(11) . .
C6 C7 C9 120.5(12) . .
C5 C8 H8A 109.5 . .
C5 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C5 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C7' C2' C3' 117(2) . .
C7' C2' N1 116.2(17) . .
C3' C2' N1 127.1(16) . .
C2' C3' C4' 125(3) . .
C2' C3' H3' 117.7 . .
C4' C3' H3' 117.7 . .
C5' C4' C3' 119(2) . .
C5' C4' H4' 120.4 . .
C3' C4' H4' 120.4 . .
C4' C5' C6' 116(2) . .
C4' C5' C8' 124(2) . .
C6' C5' C8' 121(2) . .
C5' C6' C7' 126(2) . .
C5' C6' H6' 117.2 . .
C7' C6' H6' 117.2 . .
C2' C7' C6' 118(2) . .
C2' C7' C9' 127(2) . .
C6' C7' C9' 108(2) . .
C5' C8' H8'1 109.5 . .
C5' C8' H8'2 109.5 . .
H8'1 C8' H8'2 109.5 . .
C5' C8' H8'3 109.5 . .
H8'1 C8' H8'3 109.5 . .
H8'2 C8' H8'3 109.5 . .
C7' C9' H9'1 109.5 . .
C7' C9' H9'2 109.5 . .
H9'1 C9' H9'2 109.5 . .
C7' C9' H9'3 109.5 . .
H9'1 C9' H9'3 109.5 . .
H9'2 C9' H9'3 109.5 . .
C52 C51 C53 66.7(19) . .
C51 C52 C57 153.5(19) . 1_556
C51 C52 C53 73(2) . .
C57 C52 C53 81(2) 1_556 .
C52 C53 C51 40.2(16) . .
C52 C53 C54 154(4) . .
C51 C53 C54 166(3) . .
C56 C53 C54 50.0(16) 1_556 .
C52 C53 C57 48.1(16) . 1_556
C51 C53 C57 88(2) . 1_556
C56 C53 C57 59.4(18) 1_556 1_556
C54 C53 C57 106(3) . 1_556
C56 C54 C55 59.4(12) 1_556 .
C56 C54 C53 57.8(17) 1_556 .
C55 C54 C53 100(2) . .
C56 C55 C54 58.3(13) 1_556 .
C54 C56 C57 133.0(12) 1_554 .
C55 C56 C57 156.1(12) 1_554 .
C53 C56 C57 66.6(17) 1_554 .
C52 C57 C56 103.6(11) 1_554 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt2 C44 1.975(5) .
Pt2 N4 2.008(4) .
Pt2 Cl1 2.3255(14) .
Pt2 Cl2 2.4487(13) .
Pt2 Pt1 3.3869(3) .
Pt1 C19 1.977(6) .
Pt1 N1 2.011(4) .
Pt1 Cl2 2.3238(13) .
Pt1 Cl1 2.4575(14) .
N1 C1 1.303(7) .
N1 C2' 1.41(3) .
N1 C2 1.461(16) .
N2 C1 1.357(7) .
N2 C10 1.448(8) .
N2 H2 0.8600 .
N3 C1 1.287(8) .
N3 C18 1.446(8) .
N3 H3 0.8600 .
N4 C26 1.322(7) .
N4 C27 1.444(7) .
N5 C26 1.341(7) .
N5 C35 1.437(7) .
N5 H5 0.8600 .
N6 C26 1.334(7) .
N6 C43 1.427(7) .
N6 H6 0.8600 .
C10 C11 1.367(9) .
C10 C15 1.374(10) .
C11 C12 1.391(9) .
C11 H11 0.9300 .
C12 C13 1.368(9) .
C12 H12 0.9300 .
C13 C14 1.360(10) .
C13 C16 1.515(9) .
C14 C15 1.407(10) .
C14 H14 0.9300 .
C15 C17 1.494(11) .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 C23 1.386(8) .
C18 C19 1.417(7) .
C19 C20 1.407(8) .
C20 C21 1.382(9) .
C20 H20 0.9300 .
C21 C22 1.381(9) .
C21 C24 1.514(10) .
C22 C23 1.386(10) .
C22 H22 0.9300 .
C23 C25 1.560(9) .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C27 C28 1.375(8) .
C27 C32 1.402(8) .
C28 C29 1.379(8) .
C28 C34' 1.421(15) .
C29 C30 1.398(9) .
C29 H29 0.9300 .
C30 C31 1.373(9) .
C30 C33 1.510(9) .
C31 C32 1.388(8) .
C31 H31 0.9300 .
C32 C34 1.461(10) .
C33 H33A 0.9600 .
C33 H33B 0.9600 .
C33 H33C 0.9600 .
C35 C36 1.359(9) .
C35 C40 1.363(9) .
C36 C37 1.378(10) .
C36 H36 0.9300 .
C37 C38 1.351(11) .
C37 H37 0.9300 .
C38 C39 1.373(10) .
C38 C41 1.513(8) .
C39 C40 1.398(8) .
C39 H39 0.9300 .
C40 C42 1.505(9) .
C41 H41A 0.9600 .
C41 H41B 0.9600 .
C41 H41C 0.9600 .
C42 H42A 0.9600 .
C42 H42B 0.9600 .
C42 H42C 0.9600 .
C43 C48 1.396(8) .
C43 C44 1.416(8) .
C44 C45 1.401(8) .
C45 C46 1.391(8) .
C45 H45 0.9300 .
C46 C47 1.380(9) .
C46 C49 1.503(9) .
C47 C48 1.389(9) .
C47 H47 0.9300 .
C48 C50 1.537(9) .
C49 H49A 0.9600 .
C49 H49B 0.9600 .
C49 H49C 0.9600 .
C50 H50A 0.9600 .
C50 H50B 0.9600 .
C50 H50C 0.9600 .
C2 C7 1.387(13) .
C2 C3 1.395(12) .
C3 C4 1.396(12) .
C3 H3A 0.9300 .
C4 C5 1.378(13) .
C4 H4 0.9300 .
C5 C6 1.388(12) .
C5 C8 1.493(15) .
C6 C7 1.398(11) .
C6 H6A 0.9300 .
C7 C9 1.478(15) .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C2' C7' 1.377(15) .
C2' C3' 1.379(16) .
C3' C4' 1.380(15) .
C3' H3' 0.9300 .
C4' C5' 1.377(16) .
C4' H4' 0.9300 .
C5' C6' 1.378(16) .
C5' C8' 1.42(2) .
C6' C7' 1.388(15) .
C6' H6' 0.9300 .
C7' C9' 1.40(2) .
C8' H8'1 0.9600 .
C8' H8'2 0.9600 .
C8' H8'3 0.9600 .
C9' H9'1 0.9600 .
C9' H9'2 0.9600 .
C9' H9'3 0.9600 .
C51 C52 1.018(16) .
C51 C53 1.51(5) .
C52 C57 1.390(18) 1_556
C52 C53 1.45(5) .
C53 C56 1.63(5) 1_556
C53 C54 1.83(5) .
C53 C57 1.85(5) 1_556
C54 C56 1.47(2) 1_556
C54 C55 1.54(3) .
C55 C56 1.49(2) 1_556
C56 C57 1.732(16) .
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_4
C18 N3 C1 N1 23.4(11) . .
C18 N3 C1 N2 -161.0(6) . .
C2' N1 C1 N3 166.6(10) . .
C2 N1 C1 N3 -169.3(8) . .
Pt1 N1 C1 N3 9.3(9) . .
C2' N1 C1 N2 -8.7(12) . .
C2 N1 C1 N2 15.4(10) . .
Pt1 N1 C1 N2 -166.0(5) . .
C10 N2 C1 N3 17.4(9) . .
C10 N2 C1 N1 -167.0(6) . .
C1 N2 C10 C11 -104.4(8) . .
C1 N2 C10 C15 74.9(9) . .
C15 C10 C11 C12 -0.9(10) . .
N2 C10 C11 C12 178.4(6) . .
C10 C11 C12 C13 0.0(9) . .
C11 C12 C13 C14 0.0(10) . .
C11 C12 C13 C16 -178.5(6) . .
C12 C13 C14 C15 1.0(13) . .
C16 C13 C14 C15 179.4(8) . .
C11 C10 C15 C14 1.7(12) . .
N2 C10 C15 C14 -177.6(7) . .
C11 C10 C15 C17 176.6(9) . .
N2 C10 C15 C17 -2.7(14) . .
C13 C14 C15 C10 -1.7(14) . .
C13 C14 C15 C17 -176.9(10) . .
C1 N3 C18 C23 152.3(7) . .
C1 N3 C18 C19 -28.2(10) . .
C23 C18 C19 C20 -3.7(9) . .
N3 C18 C19 C20 176.8(5) . .
C23 C18 C19 Pt1 179.3(5) . .
N3 C18 C19 Pt1 -0.1(8) . .
C18 C19 C20 C21 2.7(10) . .
Pt1 C19 C20 C21 179.7(6) . .
C19 C20 C21 C22 0.6(11) . .
C19 C20 C21 C24 -179.5(7) . .
C20 C21 C22 C23 -3.1(12) . .
C24 C21 C22 C23 177.1(8) . .
C21 C22 C23 C18 2.0(12) . .
C21 C22 C23 C25 -176.3(7) . .
C19 C18 C23 C22 1.5(10) . .
N3 C18 C23 C22 -179.0(6) . .
C19 C18 C23 C25 179.7(7) . .
N3 C18 C23 C25 -0.9(10) . .
C27 N4 C26 N6 -177.6(5) . .
Pt2 N4 C26 N6 8.9(8) . .
C27 N4 C26 N5 6.9(9) . .
Pt2 N4 C26 N5 -166.6(5) . .
C43 N6 C26 N4 31.0(10) . .
C43 N6 C26 N5 -153.3(6) . .
C35 N5 C26 N4 -160.2(6) . .
C35 N5 C26 N6 24.1(9) . .
C26 N4 C27 C28 98.0(6) . .
Pt2 N4 C27 C28 -88.0(6) . .
C26 N4 C27 C32 -82.6(7) . .
Pt2 N4 C27 C32 91.4(5) . .
C32 C27 C28 C29 2.6(8) . .
N4 C27 C28 C29 -178.0(5) . .
C32 C27 C28 C34' -170.8(10) . .
N4 C27 C28 C34' 8.6(12) . .
C27 C28 C29 C30 -1.7(9) . .
C34' C28 C29 C30 172.1(10) . .
C28 C29 C30 C31 -0.1(9) . .
C28 C29 C30 C33 177.4(6) . .
C29 C30 C31 C32 1.1(9) . .
C33 C30 C31 C32 -176.4(6) . .
C30 C31 C32 C27 -0.2(9) . .
C30 C31 C32 C34 -179.5(7) . .
C28 C27 C32 C31 -1.6(8) . .
N4 C27 C32 C31 179.0(5) . .
C28 C27 C32 C34 177.6(6) . .
N4 C27 C32 C34 -1.8(8) . .
C26 N5 C35 C36 -94.3(8) . .
C26 N5 C35 C40 86.8(8) . .
C40 C35 C36 C37 -1.2(11) . .
N5 C35 C36 C37 179.9(7) . .
C35 C36 C37 C38 2.8(13) . .
C36 C37 C38 C39 -3.4(11) . .
C36 C37 C38 C41 176.5(7) . .
C37 C38 C39 C40 2.6(10) . .
C41 C38 C39 C40 -177.2(6) . .
C36 C35 C40 C39 0.4(9) . .
N5 C35 C40 C39 179.3(5) . .
C36 C35 C40 C42 179.8(7) . .
N5 C35 C40 C42 -1.3(9) . .
C38 C39 C40 C35 -1.2(9) . .
C38 C39 C40 C42 179.4(7) . .
C26 N6 C43 C48 145.3(6) . .
C26 N6 C43 C44 -37.9(9) . .
C48 C43 C44 C45 -4.6(9) . .
N6 C43 C44 C45 178.8(5) . .
C48 C43 C44 Pt2 -179.8(5) . .
N6 C43 C44 Pt2 3.6(8) . .
C43 C44 C45 C46 3.4(9) . .
Pt2 C44 C45 C46 178.6(5) . .
C44 C45 C46 C47 -0.2(10) . .
C44 C45 C46 C49 176.5(6) . .
C45 C46 C47 C48 -2.1(11) . .
C49 C46 C47 C48 -178.7(7) . .
C46 C47 C48 C43 0.9(10) . .
C46 C47 C48 C50 -175.9(6) . .
C44 C43 C48 C47 2.6(9) . .
N6 C43 C48 C47 179.3(6) . .
C44 C43 C48 C50 179.2(6) . .
N6 C43 C48 C50 -4.1(9) . .
C1 N1 C2 C7 -90.8(11) . .
Pt1 N1 C2 C7 90.4(10) . .
C1 N1 C2 C3 93.1(8) . .
Pt1 N1 C2 C3 -85.7(7) . .
C7 C2 C3 C4 1.0(9) . .
N1 C2 C3 C4 176.9(9) . .
C2 C3 C4 C5 -0.7(11) . .
C3 C4 C5 C6 0(2) . .
C3 C4 C5 C8 -178.7(12) . .
C4 C5 C6 C7 1(2) . .
C8 C5 C6 C7 179.3(14) . .
C3 C2 C7 C6 -0.4(17) . .
N1 C2 C7 C6 -176.4(11) . .
C3 C2 C7 C9 -179.9(11) . .
N1 C2 C7 C9 4.1(18) . .
C5 C6 C7 C2 0(2) . .
C5 C6 C7 C9 178.9(16) . .
C1 N1 C2' C7' 101.9(17) . .
Pt1 N1 C2' C7' -98.6(17) . .
C1 N1 C2' C3' -79(2) . .
Pt1 N1 C2' C3' 81(2) . .
C7' C2' C3' C4' 3(3) . .
N1 C2' C3' C4' -175.9(19) . .
C2' C3' C4' C5' 2(4) . .
C3' C4' C5' C6' -2(4) . .
C3' C4' C5' C8' -177(3) . .
C4' C5' C6' C7' -4(5) . .
C8' C5' C6' C7' 171(3) . .
C3' C2' C7' C6' -9(3) . .
N1 C2' C7' C6' 170.7(19) . .
C3' C2' C7' C9' -155(2) . .
N1 C2' C7' C9' 24(3) . .
C5' C6' C7' C2' 10(4) . .
C5' C6' C7' C9' 162(3) . .
C53 C51 C52 C57 -15(4) . 1_556
C57 C52 C53 C51 173.4(17) 1_556 .
C51 C52 C53 C56 -161(3) . 1_556
C57 C52 C53 C56 12(2) 1_556 1_556
C51 C52 C53 C54 177(8) . .
C57 C52 C53 C54 -10(7) 1_556 .
C51 C52 C53 C57 -173.4(17) . 1_556
C52 C51 C53 C56 32(4) . 1_556
C52 C51 C53 C54 -175(14) . .
C52 C51 C53 C57 4.9(13) . 1_556
C52 C53 C54 C56 28(7) . 1_556
C51 C53 C54 C56 -160(13) . 1_556
C57 C53 C54 C56 20.6(15) 1_556 1_556
C52 C53 C54 C55 72(8) . .
C51 C53 C54 C55 -116(13) . .
C56 C53 C54 C55 43.7(16) 1_556 .
C57 C53 C54 C55 64(3) 1_556 .
C53 C54 C55 C56 -42.8(17) . 1_556
C54 C56 C57 C52 41.9(19) 1_554 1_554
C55 C56 C57 C52 -81(3) 1_554 1_554
C53 C56 C57 C52 11.1(19) 1_554 1_554
C54 C56 C57 C53 31(2) 1_554 1_554
C55 C56 C57 C53 -92(3) 1_554 1_554
