#------------------------------------------------------------------------------
#$Date: 2019-09-25 10:43:52 +0300 (Wed, 25 Sep 2019) $
#$Revision: 218810 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/41/7234124.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_7234124
loop_
_publ_author_name
'Hui Li'
'Wei Yuan'
'Xingdong Wang'
'Hongmei Zhan'
'Zhiyuan Xie'
'Yanxiang Cheng'
_publ_section_title
;
 Enhancement of luminescence performance from the alteration of stacking
 patterns of Pt(ii) dendrimers
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              2744
_journal_page_last               2750
_journal_paper_doi               10.1039/C4TC02694B
_journal_volume                  3
_journal_year                    2015
_chemical_formula_sum            'C57 H66 Cl2 N2 O2 Pt'
_chemical_formula_weight         1077.11
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 99.0920(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.5676(8)
_cell_length_b                   29.5883(19)
_cell_length_c                   13.6576(9)
_cell_measurement_reflns_used    6712
_cell_measurement_temperature    185(2)
_cell_measurement_theta_max      24.79
_cell_measurement_theta_min      2.16
_cell_volume                     5014.8(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      185(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0496
_diffrn_reflns_av_sigmaI/netI    0.0581
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            31630
_diffrn_reflns_theta_full        26.04
_diffrn_reflns_theta_max         26.04
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    2.948
_exptl_absorpt_correction_T_max  0.7773
_exptl_absorpt_correction_T_min  0.5145
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.427
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2200
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.051
_refine_diff_density_min         -2.251
_refine_diff_density_rms         0.145
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         9865
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0798
_refine_ls_R_factor_gt           0.0565
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+25.6527P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1615
_refine_ls_wR_factor_ref         0.1742
_reflns_number_gt                7547
_reflns_number_total             9865
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            J-Mater-Chem-C-2015-3-2744.cif
_cod_data_source_block           v076
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7234124
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt Pt 0.66687(3) 0.062225(10) 0.19425(2) 0.02984(12) Uani 1 1 d . . .
O1 O 0.8228(5) 0.0904(2) 0.2260(4) 0.0394(14) Uani 1 1 d . . .
O2 O 0.6758(5) 0.0494(2) 0.3388(4) 0.0372(14) Uani 1 1 d . . .
N1 N 0.6291(5) 0.0745(2) 0.0466(4) 0.0243(13) Uani 1 1 d . . .
N2 N 0.4120(6) 0.1583(2) -0.8882(4) 0.0293(15) Uani 1 1 d . . .
C1 C 0.5180(7) 0.0379(3) 0.1706(5) 0.0293(17) Uani 1 1 d . . .
C2 C 0.4635(7) 0.0170(3) 0.2376(6) 0.036(2) Uani 1 1 d . . .
H2A H 0.4996 0.0108 0.3027 0.043 Uiso 1 1 calc R . .
C3 C 0.3578(8) 0.0052(3) 0.2113(6) 0.040(2) Uani 1 1 d . . .
H3A H 0.3231 -0.0108 0.2576 0.048 Uiso 1 1 calc R . .
C4 C 0.2990(8) 0.0157(3) 0.1184(6) 0.042(2) Uani 1 1 d . . .
H4A H 0.2248 0.0083 0.1025 0.050 Uiso 1 1 calc R . .
C5 C 0.3528(7) 0.0376(3) 0.0493(6) 0.036(2) Uani 1 1 d . . .
H5A H 0.3157 0.0450 -0.0148 0.043 Uiso 1 1 calc R . .
C6 C 0.4597(6) 0.0482(2) 0.0755(5) 0.0252(16) Uani 1 1 d . . .
C7 C 0.5246(6) 0.0706(2) 0.0090(5) 0.0236(16) Uani 1 1 d . . .
C8 C 0.4796(6) 0.0866(2) -0.0855(5) 0.0246(16) Uani 1 1 d . . .
H8A H 0.4043 0.0840 -0.1075 0.030 Uiso 1 1 calc R . .
C9 C 0.5448(6) 0.1060(3) -0.1468(5) 0.0251(16) Uani 1 1 d . . .
C10 C 0.6567(7) 0.1054(3) -0.1153(5) 0.0277(17) Uani 1 1 d . . .
C11 C 0.7333(7) 0.1169(3) -0.1770(6) 0.0350(19) Uani 1 1 d . . .
H11A H 0.7087 0.1280 -0.2419 0.042 Uiso 1 1 calc R . .
C12 C 0.8406(7) 0.1125(3) -0.1462(6) 0.044(2) Uani 1 1 d . . .
H12A H 0.8893 0.1195 -0.1906 0.052 Uiso 1 1 calc R . .
C13 C 0.8806(7) 0.0980(4) -0.0510(7) 0.047(2) Uani 1 1 d . . .
H13A H 0.9562 0.0958 -0.0298 0.056 Uiso 1 1 calc R . .
C14 C 0.8099(7) 0.0869(3) 0.0129(6) 0.039(2) Uani 1 1 d . . .
H14A H 0.8374 0.0772 0.0783 0.047 Uiso 1 1 calc R . .
C15 C 0.6992(6) 0.0896(2) -0.0167(5) 0.0260(16) Uani 1 1 d . . .
C16 C 0.9927(8) 0.1138(3) 0.3081(7) 0.046(2) Uani 1 1 d . . .
C17 C 0.8802(7) 0.0937(3) 0.3095(6) 0.0372(19) Uani 1 1 d . . .
C18 C 0.8477(8) 0.0815(3) 0.4007(6) 0.040(2) Uani 1 1 d . . .
H18A H 0.8960 0.0881 0.4597 0.048 Uiso 1 1 calc R . .
C19 C 0.7512(7) 0.0605(3) 0.4108(5) 0.0304(17) Uani 1 1 d . . .
C20 C 0.7246(8) 0.0468(3) 0.5127(6) 0.040(2) Uani 1 1 d . . .
C21 C 0.4949(6) 0.1248(3) -0.2431(5) 0.0265(16) Uani 1 1 d . . .
C22 C 0.4136(6) 0.1007(3) -0.3061(5) 0.0255(16) Uani 1 1 d . . .
H22A H 0.3898 0.0723 -0.2856 0.031 Uiso 1 1 calc R . .
C23 C 0.3694(6) 0.1181(3) -0.3962(5) 0.0283(17) Uani 1 1 d . . .
H23A H 0.3160 0.1011 -0.4373 0.034 Uiso 1 1 calc R . .
C24 C 0.3997(6) 0.1598(3) -0.4296(5) 0.0272(16) Uani 1 1 d . . .
C25 C 0.4782(6) 0.1841(3) -0.3673(5) 0.0275(16) Uani 1 1 d . . .
H25A H 0.4998 0.2129 -0.3879 0.033 Uiso 1 1 calc R . .
C26 C 0.5259(6) 0.1670(3) -0.2749(5) 0.0290(17) Uani 1 1 d . . .
H26A H 0.5794 0.1841 -0.2339 0.035 Uiso 1 1 calc R . .
C27 C 0.3551(7) 0.1770(3) -0.5323(5) 0.0319(18) Uani 1 1 d . . .
H27A H 0.3783 0.2087 -0.5386 0.038 Uiso 1 1 calc R . .
H27B H 0.2754 0.1766 -0.5411 0.038 Uiso 1 1 calc R . .
C28 C 0.3927(7) 0.1487(3) -0.6138(5) 0.0318(18) Uani 1 1 d . . .
H28A H 0.3579 0.1186 -0.6151 0.038 Uiso 1 1 calc R . .
H28B H 0.4715 0.1440 -0.5969 0.038 Uiso 1 1 calc R . .
C29 C 0.3682(7) 0.1693(3) -0.7174(5) 0.0281(17) Uani 1 1 d . . .
H29A H 0.4077 0.1982 -0.7189 0.034 Uiso 1 1 calc R . .
H29B H 0.2901 0.1757 -0.7339 0.034 Uiso 1 1 calc R . .
C30 C 0.4020(7) 0.1366(3) -0.7943(5) 0.0332(19) Uani 1 1 d . . .
H30A H 0.4720 0.1228 -0.7666 0.040 Uiso 1 1 calc R . .
H30B H 0.3481 0.1120 -0.8068 0.040 Uiso 1 1 calc R . .
C31 C 0.3308(7) 0.1641(3) -0.9698(5) 0.0291(17) Uani 1 1 d . . .
C32 C 0.2245(7) 0.1495(3) -0.9875(6) 0.0356(19) Uani 1 1 d . . .
H32A H 0.1947 0.1330 -0.9386 0.043 Uiso 1 1 calc R . .
C33 C 0.1638(7) 0.1594(3) -1.0771(6) 0.038(2) Uani 1 1 d . . .
H33A H 0.0923 0.1480 -1.0905 0.045 Uiso 1 1 calc R . .
C34 C 0.2012(6) 0.1854(3) -1.1499(5) 0.0286(16) Uani 1 1 d . . .
C35 C 0.3082(6) 0.2001(2) -1.1331(5) 0.0246(15) Uani 1 1 d . . .
H35A H 0.3369 0.2169 -1.1822 0.029 Uiso 1 1 calc R . .
C36 C 0.3729(6) 0.1896(2) -1.0417(5) 0.0245(15) Uani 1 1 d . . .
C37 C 0.4828(6) 0.2005(2) -1.0024(5) 0.0236(16) Uani 1 1 d . . .
C38 C 0.5650(6) 0.2255(3) -1.0349(5) 0.0278(17) Uani 1 1 d . . .
H38A H 0.5517 0.2393 -1.0985 0.033 Uiso 1 1 calc R . .
C39 C 0.6643(7) 0.2306(3) -0.9775(5) 0.0299(17) Uani 1 1 d . . .
C40 C 0.6810(7) 0.2080(3) -0.8834(5) 0.0327(18) Uani 1 1 d . . .
H40A H 0.7501 0.2101 -0.8438 0.039 Uiso 1 1 calc R . .
C41 C 0.6033(7) 0.1838(3) -0.8474(5) 0.0305(17) Uani 1 1 d . . .
H41A H 0.6169 0.1699 -0.7839 0.037 Uiso 1 1 calc R . .
C42 C 0.5041(6) 0.1803(2) -0.9071(5) 0.0262(16) Uani 1 1 d . . .
C43 C 0.1261(6) 0.1979(3) -1.2462(6) 0.0316(18) Uani 1 1 d . . .
C44 C 0.0278(8) 0.2222(4) -1.2201(8) 0.054(3) Uani 1 1 d . . .
H44A H 0.0504 0.2501 -1.1843 0.080 Uiso 1 1 calc R . .
H44B H -0.0089 0.2026 -1.1781 0.080 Uiso 1 1 calc R . .
H44C H -0.0216 0.2294 -1.2810 0.080 Uiso 1 1 calc R . .
C45 C 0.1794(8) 0.2263(4) -1.3163(7) 0.052(3) Uani 1 1 d . . .
H45A H 0.2048 0.2546 -1.2836 0.077 Uiso 1 1 calc R . .
H45B H 0.1274 0.2329 -1.3759 0.077 Uiso 1 1 calc R . .
H45C H 0.2407 0.2097 -1.3349 0.077 Uiso 1 1 calc R . .
C46 C 0.0869(8) 0.1538(3) -1.3034(7) 0.048(2) Uani 1 1 d . . .
H46A H 0.1491 0.1377 -1.3216 0.072 Uiso 1 1 calc R . .
H46B H 0.0369 0.1616 -1.3636 0.072 Uiso 1 1 calc R . .
H46C H 0.0502 0.1344 -1.2610 0.072 Uiso 1 1 calc R . .
C47 C 0.7541(7) 0.2594(3) -1.0067(6) 0.041(2) Uani 1 1 d . . .
C48 C 0.7736(9) 0.2990(3) -0.9389(9) 0.058(3) Uani 1 1 d . . .
H48A H 0.8320 0.3174 -0.9575 0.087 Uiso 1 1 calc R . .
H48B H 0.7938 0.2884 -0.8705 0.087 Uiso 1 1 calc R . .
H48C H 0.7077 0.3172 -0.9440 0.087 Uiso 1 1 calc R . .
C49 C 0.7280(11) 0.2772(6) -1.1108(9) 0.115(7) Uani 1 1 d . . .
H49A H 0.7890 0.2949 -1.1264 0.173 Uiso 1 1 calc R . .
H49B H 0.6638 0.2964 -1.1166 0.173 Uiso 1 1 calc R . .
H49C H 0.7143 0.2518 -1.1572 0.173 Uiso 1 1 calc R . .
C50 C 0.8601(9) 0.2327(4) -0.9978(9) 0.062(3) Uani 1 1 d . . .
H50A H 0.9163 0.2520 -1.0179 0.093 Uiso 1 1 calc R . .
H50B H 0.8497 0.2061 -1.0409 0.093 Uiso 1 1 calc R . .
H50C H 0.8820 0.2231 -0.9289 0.093 Uiso 1 1 calc R . .
C51 C 1.0407(14) 0.1342(8) 0.4031(11) 0.154(10) Uani 1 1 d . . .
H51A H 0.9939 0.1585 0.4201 0.231 Uiso 1 1 calc R . .
H51B H 1.1118 0.1465 0.3973 0.231 Uiso 1 1 calc R . .
H51C H 1.0483 0.1111 0.4551 0.231 Uiso 1 1 calc R . .
C52 C 0.9906(14) 0.1480(8) 0.2296(11) 0.148(10) Uani 1 1 d . . .
H52A H 0.9445 0.1733 0.2427 0.223 Uiso 1 1 calc R . .
H52B H 0.9622 0.1345 0.1653 0.223 Uiso 1 1 calc R . .
H52C H 1.0639 0.1591 0.2284 0.223 Uiso 1 1 calc R . .
C53 C 1.0648(14) 0.0763(6) 0.280(2) 0.180(13) Uani 1 1 d . . .
H53A H 1.1373 0.0883 0.2788 0.271 Uiso 1 1 calc R . .
H53B H 1.0351 0.0645 0.2144 0.271 Uiso 1 1 calc R . .
H53C H 1.0687 0.0519 0.3290 0.271 Uiso 1 1 calc R . .
C54 C 0.7025(10) -0.0045(3) 0.5110(7) 0.054(3) Uani 1 1 d . . .
H54A H 0.6848 -0.0139 0.5754 0.081 Uiso 1 1 calc R . .
H54B H 0.7667 -0.0207 0.4980 0.081 Uiso 1 1 calc R . .
H54C H 0.6418 -0.0113 0.4588 0.081 Uiso 1 1 calc R . .
C55 C 0.6249(9) 0.0711(3) 0.5286(7) 0.051(3) Uani 1 1 d . . .
H55A H 0.6383 0.1037 0.5301 0.076 Uiso 1 1 calc R . .
H55B H 0.6045 0.0616 0.5918 0.076 Uiso 1 1 calc R . .
H55C H 0.5665 0.0640 0.4744 0.076 Uiso 1 1 calc R . .
C56 C 0.8139(9) 0.0586(4) 0.5950(7) 0.057(3) Uani 1 1 d . . .
H56A H 0.8254 0.0914 0.5962 0.086 Uiso 1 1 calc R . .
H56B H 0.8803 0.0433 0.5843 0.086 Uiso 1 1 calc R . .
H56C H 0.7945 0.0489 0.6585 0.086 Uiso 1 1 calc R . .
C57 C 1.1699(11) 0.0398(5) -0.2088(10) 0.082(4) Uani 1 1 d . . .
H57A H 1.1985 0.0708 -0.1958 0.098 Uiso 1 1 calc R . .
H57B H 1.2309 0.0185 -0.1937 0.098 Uiso 1 1 calc R . .
Cl1 Cl 1.1160(4) 0.03518(14) -0.3306(3) 0.1001(12) Uani 1 1 d . . .
Cl2 Cl 1.0771(4) 0.02876(16) -0.1311(4) 0.1134(14) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 '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'
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
C1 Pt O2 89.8(3) . .
C1 Pt N1 80.6(3) . .
O2 Pt N1 169.8(3) . .
C1 Pt O1 176.7(3) . .
O2 Pt O1 88.1(2) . .
N1 Pt O1 101.4(2) . .
C17 O1 Pt 126.9(6) . .
C19 O2 Pt 128.5(5) . .
C7 N1 C15 117.8(6) . .
C7 N1 Pt 115.3(5) . .
C15 N1 Pt 126.8(5) . .
C42 N2 C31 108.6(6) . .
C42 N2 C30 124.1(6) . .
C31 N2 C30 127.1(7) . .
C2 C1 C6 117.8(8) . .
C2 C1 Pt 127.7(6) . .
C6 C1 Pt 114.1(5) . .
C3 C2 C1 120.4(8) . .
C2 C3 C4 122.3(8) . .
C3 C4 C5 118.1(8) . .
C6 C5 C4 119.1(8) . .
C5 C6 C1 122.2(7) . .
C5 C6 C7 123.9(7) . .
C1 C6 C7 113.9(7) . .
N1 C7 C8 123.5(7) . .
N1 C7 C6 114.1(6) . .
C8 C7 C6 122.4(7) . .
C9 C8 C7 120.2(7) . .
C8 C9 C10 117.9(7) . .
C8 C9 C21 119.2(7) . .
C10 C9 C21 122.8(7) . .
C9 C10 C11 123.9(7) . .
C9 C10 C15 119.6(7) . .
C11 C10 C15 116.4(7) . .
C12 C11 C10 122.0(8) . .
C11 C12 C13 121.2(8) . .
C14 C13 C12 119.4(8) . .
C13 C14 C15 121.3(8) . .
C14 C15 N1 120.1(7) . .
C14 C15 C10 119.7(7) . .
N1 C15 C10 120.1(7) . .
C51 C16 C52 108.6(13) . .
C51 C16 C53 110.1(15) . .
C52 C16 C53 105.1(15) . .
C51 C16 C17 113.4(9) . .
C52 C16 C17 111.4(9) . .
C53 C16 C17 107.9(10) . .
O1 C17 C18 125.1(8) . .
O1 C17 C16 114.7(7) . .
C18 C17 C16 120.2(8) . .
C19 C18 C17 125.4(8) . .
O2 C19 C18 125.7(7) . .
O2 C19 C20 112.5(7) . .
C18 C19 C20 121.7(7) . .
C55 C20 C56 109.0(8) . .
C55 C20 C19 108.3(7) . .
C56 C20 C19 112.0(8) . .
C55 C20 C54 108.8(9) . .
C56 C20 C54 110.7(8) . .
C19 C20 C54 108.1(7) . .
C26 C21 C22 118.0(7) . .
C26 C21 C9 120.9(7) . .
C22 C21 C9 121.1(7) . .
C23 C22 C21 120.5(7) . .
C22 C23 C24 122.4(7) . .
C23 C24 C25 117.4(7) . .
C23 C24 C27 121.5(7) . .
C25 C24 C27 120.9(7) . .
C24 C25 C26 121.5(7) . .
C25 C26 C21 120.1(7) . .
C24 C27 C28 112.3(6) . .
C27 C28 C29 114.6(6) . .
C28 C29 C30 110.2(6) . .
N2 C30 C29 113.4(6) . .
C32 C31 N2 131.4(7) . .
C32 C31 C36 120.2(7) . .
N2 C31 C36 108.4(7) . .
C33 C32 C31 118.3(8) . .
C32 C33 C34 123.6(8) . .
C35 C34 C33 118.6(7) . .
C35 C34 C43 120.6(7) . .
C33 C34 C43 120.8(7) . .
C34 C35 C36 118.7(7) . .
C31 C36 C35 120.6(7) . .
C31 C36 C37 107.8(6) . .
C35 C36 C37 131.7(7) . .
C38 C37 C42 118.2(7) . .
C38 C37 C36 135.6(6) . .
C42 C37 C36 106.1(6) . .
C39 C38 C37 121.8(6) . .
C38 C39 C40 116.9(7) . .
C38 C39 C47 123.9(7) . .
C40 C39 C47 119.2(7) . .
C41 C40 C39 123.8(7) . .
C40 C41 C42 117.2(7) . .
C41 C42 N2 128.8(7) . .
C41 C42 C37 122.1(7) . .
N2 C42 C37 109.1(6) . .
C45 C43 C44 110.2(8) . .
C45 C43 C34 113.7(7) . .
C44 C43 C34 109.0(7) . .
C45 C43 C46 106.5(7) . .
C44 C43 C46 108.0(7) . .
C34 C43 C46 109.2(7) . .
C48 C47 C49 107.6(10) . .
C48 C47 C39 109.5(8) . .
C49 C47 C39 112.7(7) . .
C48 C47 C50 107.4(8) . .
C49 C47 C50 108.1(10) . .
C39 C47 C50 111.3(8) . .
Cl1 C57 Cl2 112.5(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt C1 1.983(8) .
Pt O2 1.996(5) .
Pt N1 2.030(6) .
Pt O1 2.111(6) .
O1 C17 1.252(10) .
O2 C19 1.295(10) .
N1 C7 1.336(10) .
N1 C15 1.402(9) .
N2 C42 1.388(10) .
N2 C31 1.398(10) .
N2 C30 1.456(9) .
C1 C2 1.372(11) .
C1 C6 1.419(10) .
C2 C3 1.366(13) .
C3 C4 1.399(12) .
C4 C5 1.403(12) .
C5 C6 1.370(11) .
C6 C7 1.472(10) .
C7 C8 1.407(10) .
C8 C9 1.385(10) .
C9 C10 1.404(11) .
C9 C21 1.474(10) .
C10 C11 1.417(11) .
C10 C15 1.447(10) .
C11 C12 1.353(12) .
C12 C13 1.386(13) .
C13 C14 1.380(12) .
C14 C15 1.388(11) .
C16 C51 1.470(15) .
C16 C52 1.472(18) .
C16 C53 1.520(19) .
C16 C17 1.537(13) .
C17 C18 1.417(12) .
C18 C19 1.388(12) .
C19 C20 1.536(11) .
C20 C55 1.490(14) .
C20 C56 1.499(13) .
C20 C54 1.542(13) .
C21 C26 1.397(11) .
C21 C22 1.418(10) .
C22 C23 1.368(10) .
C23 C24 1.390(11) .
C24 C25 1.396(11) .
C24 C27 1.513(10) .
C25 C26 1.404(10) .
C27 C28 1.527(11) .
C28 C29 1.526(9) .
C29 C30 1.537(10) .
C31 C32 1.389(12) .
C31 C36 1.406(10) .
C32 C33 1.368(12) .
C33 C34 1.396(11) .
C34 C35 1.398(10) .
C34 C43 1.538(10) .
C35 C36 1.412(10) .
C36 C37 1.438(10) .
C37 C38 1.397(11) .
C37 C42 1.420(10) .
C38 C39 1.374(11) .
C39 C40 1.433(10) .
C39 C47 1.517(12) .
C40 C41 1.364(12) .
C41 C42 1.382(10) .
C43 C45 1.507(12) .
C43 C44 1.519(13) .
C43 C46 1.560(12) .
C47 C48 1.489(13) .
C47 C49 1.503(13) .
C47 C50 1.536(14) .
C57 Cl1 1.700(14) .
C57 Cl2 1.727(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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C1 Pt O1 C17 49(5) . . . .
O2 Pt O1 C17 -0.4(7) . . . .
N1 Pt O1 C17 175.8(7) . . . .
C1 Pt O2 C19 -172.7(7) . . . .
N1 Pt O2 C19 -153.8(11) . . . .
O1 Pt O2 C19 4.9(7) . . . .
C1 Pt N1 C7 13.3(5) . . . .
O2 Pt N1 C7 -5.8(16) . . . .
O1 Pt N1 C7 -164.1(5) . . . .
C1 Pt N1 C15 -171.7(6) . . . .
O2 Pt N1 C15 169.1(12) . . . .
O1 Pt N1 C15 10.9(6) . . . .
O2 Pt C1 C2 -6.2(8) . . . .
N1 Pt C1 C2 177.1(8) . . . .
O1 Pt C1 C2 -55(5) . . . .
O2 Pt C1 C6 166.5(6) . . . .
N1 Pt C1 C6 -10.2(5) . . . .
O1 Pt C1 C6 117(5) . . . .
C6 C1 C2 C3 2.5(12) . . . .
Pt C1 C2 C3 175.0(6) . . . .
C1 C2 C3 C4 -3.6(14) . . . .
C2 C3 C4 C5 2.7(14) . . . .
C3 C4 C5 C6 -0.7(13) . . . .
C4 C5 C6 C1 -0.3(12) . . . .
C4 C5 C6 C7 179.3(7) . . . .
C2 C1 C6 C5 -0.6(12) . . . .
Pt C1 C6 C5 -174.1(6) . . . .
C2 C1 C6 C7 179.7(7) . . . .
Pt C1 C6 C7 6.2(8) . . . .
C15 N1 C7 C8 -9.0(10) . . . .
Pt N1 C7 C8 166.5(5) . . . .
C15 N1 C7 C6 171.2(6) . . . .
Pt N1 C7 C6 -13.4(8) . . . .
C5 C6 C7 N1 -174.9(7) . . . .
C1 C6 C7 N1 4.7(9) . . . .
C5 C6 C7 C8 5.2(11) . . . .
C1 C6 C7 C8 -175.1(7) . . . .
N1 C7 C8 C9 2.5(11) . . . .
C6 C7 C8 C9 -177.7(7) . . . .
C7 C8 C9 C10 5.8(10) . . . .
C7 C8 C9 C21 -176.5(7) . . . .
C8 C9 C10 C11 168.7(7) . . . .
C21 C9 C10 C11 -8.9(12) . . . .
C8 C9 C10 C15 -7.1(10) . . . .
C21 C9 C10 C15 175.3(7) . . . .
C9 C10 C11 C12 -174.8(8) . . . .
C15 C10 C11 C12 1.2(12) . . . .
C10 C11 C12 C13 -2.3(14) . . . .
C11 C12 C13 C14 1.4(15) . . . .
C12 C13 C14 C15 0.5(15) . . . .
C13 C14 C15 N1 174.6(8) . . . .
C13 C14 C15 C10 -1.5(13) . . . .
C7 N1 C15 C14 -168.9(7) . . . .
Pt N1 C15 C14 16.3(10) . . . .
C7 N1 C15 C10 7.2(10) . . . .
Pt N1 C15 C10 -167.6(5) . . . .
C9 C10 C15 C14 176.8(7) . . . .
C11 C10 C15 C14 0.7(11) . . . .
C9 C10 C15 N1 0.7(11) . . . .
C11 C10 C15 N1 -175.4(7) . . . .
Pt O1 C17 C18 -4.1(13) . . . .
Pt O1 C17 C16 177.1(6) . . . .
C51 C16 C17 O1 156.7(14) . . . .
C52 C16 C17 O1 33.9(15) . . . .
C53 C16 C17 O1 -81.0(15) . . . .
C51 C16 C17 C18 -22.1(17) . . . .
C52 C16 C17 C18 -144.9(13) . . . .
C53 C16 C17 C18 100.2(15) . . . .
O1 C17 C18 C19 5.6(16) . . . .
C16 C17 C18 C19 -175.7(9) . . . .
Pt O2 C19 C18 -5.1(13) . . . .
Pt O2 C19 C20 176.4(5) . . . .
C17 C18 C19 O2 -0.7(15) . . . .
C17 C18 C19 C20 177.7(9) . . . .
O2 C19 C20 C55 -61.6(10) . . . .
C18 C19 C20 C55 119.9(10) . . . .
O2 C19 C20 C56 178.3(8) . . . .
C18 C19 C20 C56 -0.3(12) . . . .
O2 C19 C20 C54 56.2(10) . . . .
C18 C19 C20 C54 -122.4(9) . . . .
C8 C9 C21 C26 135.0(8) . . . .
C10 C9 C21 C26 -47.4(11) . . . .
C8 C9 C21 C22 -44.7(10) . . . .
C10 C9 C21 C22 132.9(8) . . . .
C26 C21 C22 C23 1.5(11) . . . .
C9 C21 C22 C23 -178.7(7) . . . .
C21 C22 C23 C24 -1.0(12) . . . .
C22 C23 C24 C25 -0.1(12) . . . .
C22 C23 C24 C27 175.9(7) . . . .
C23 C24 C25 C26 0.8(11) . . . .
C27 C24 C25 C26 -175.2(7) . . . .
C24 C25 C26 C21 -0.3(12) . . . .
C22 C21 C26 C25 -0.9(11) . . . .
C9 C21 C26 C25 179.4(7) . . . .
C23 C24 C27 C28 -66.6(10) . . . .
C25 C24 C27 C28 109.3(9) . . . .
C24 C27 C28 C29 -169.0(7) . . . .
C27 C28 C29 C30 -176.0(7) . . . .
C42 N2 C30 C29 85.4(9) . . . .
C31 N2 C30 C29 -88.7(9) . . . .
C28 C29 C30 N2 -162.5(7) . . . .
C42 N2 C31 C32 -179.1(8) . . . .
C30 N2 C31 C32 -4.3(13) . . . .
C42 N2 C31 C36 0.7(8) . . . .
C30 N2 C31 C36 175.6(7) . . . .
N2 C31 C32 C33 -178.2(8) . . . .
C36 C31 C32 C33 2.0(12) . . . .
C31 C32 C33 C34 -3.4(14) . . . .
C32 C33 C34 C35 3.6(13) . . . .
C32 C33 C34 C43 -175.9(8) . . . .
C33 C34 C35 C36 -2.4(11) . . . .
C43 C34 C35 C36 177.1(7) . . . .
C32 C31 C36 C35 -1.0(11) . . . .
N2 C31 C36 C35 179.1(7) . . . .
C32 C31 C36 C37 178.9(7) . . . .
N2 C31 C36 C37 -1.0(8) . . . .
C34 C35 C36 C31 1.2(11) . . . .
C34 C35 C36 C37 -178.6(8) . . . .
C31 C36 C37 C38 -177.7(8) . . . .
C35 C36 C37 C38 2.2(15) . . . .
C31 C36 C37 C42 0.9(8) . . . .
C35 C36 C37 C42 -179.3(8) . . . .
C42 C37 C38 C39 0.2(11) . . . .
C36 C37 C38 C39 178.6(8) . . . .
C37 C38 C39 C40 1.6(12) . . . .
C37 C38 C39 C47 -176.5(8) . . . .
C38 C39 C40 C41 -2.6(12) . . . .
C47 C39 C40 C41 175.6(8) . . . .
C39 C40 C41 C42 1.6(12) . . . .
C40 C41 C42 N2 -179.2(7) . . . .
C40 C41 C42 C37 0.4(11) . . . .
C31 N2 C42 C41 179.5(8) . . . .
C30 N2 C42 C41 4.5(12) . . . .
C31 N2 C42 C37 -0.2(8) . . . .
C30 N2 C42 C37 -175.2(7) . . . .
C38 C37 C42 C41 -1.3(11) . . . .
C36 C37 C42 C41 179.9(7) . . . .
C38 C37 C42 N2 178.4(6) . . . .
C36 C37 C42 N2 -0.4(8) . . . .
C35 C34 C43 C45 0.2(11) . . . .
C33 C34 C43 C45 179.7(8) . . . .
C35 C34 C43 C44 -123.2(9) . . . .
C33 C34 C43 C44 56.3(10) . . . .
C35 C34 C43 C46 119.0(8) . . . .
C33 C34 C43 C46 -61.5(10) . . . .
C38 C39 C47 C48 112.5(9) . . . .
C40 C39 C47 C48 -65.5(11) . . . .
C38 C39 C47 C49 -7.2(15) . . . .
C40 C39 C47 C49 174.7(11) . . . .
C38 C39 C47 C50 -128.9(9) . . . .
C40 C39 C47 C50 53.1(11) . . . .
