#------------------------------------------------------------------------------
#$Date: 2019-09-25 10:43:52 +0300 (Wed, 25 Sep 2019) $
#$Revision: 218810 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/41/7234125.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_7234125
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            'C52 H56 N2 O2 Pt'
_chemical_formula_weight         936.08
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                94.0210(10)
_cell_angle_beta                 99.3170(10)
_cell_angle_gamma                97.3480(10)
_cell_formula_units_Z            2
_cell_length_a                   10.1108(4)
_cell_length_b                   10.6323(4)
_cell_length_c                   20.9287(8)
_cell_measurement_reflns_used    7842
_cell_measurement_temperature    185(2)
_cell_measurement_theta_max      26.01
_cell_measurement_theta_min      2.26
_cell_volume                     2192.44(15)
_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 0.979
_diffrn_measured_fraction_theta_max 0.979
_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  0.0125
_diffrn_reflns_av_sigmaI/netI    0.0260
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            11428
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.94
_exptl_absorpt_coefficient_mu    3.242
_exptl_absorpt_correction_T_max  0.7815
_exptl_absorpt_correction_T_min  0.4861
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.418
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             952
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.083
_refine_diff_density_min         -0.496
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     541
_refine_ls_number_reflns         7985
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0291
_refine_ls_R_factor_gt           0.0252
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0382P)²+0.9373P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0622
_refine_ls_wR_factor_ref         0.0642
_reflns_number_gt                7311
_reflns_number_total             7985
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            J-Mater-Chem-C-2015-3-2744.cif
_cod_data_source_block           v095
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' 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      P-1
_cod_database_code               7234125
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt Pt 0.589777(12) 0.596184(11) 0.818778(6) 0.02587(5) Uani 1 1 d . . .
O1 O 0.4263(2) 0.5008(2) 0.75049(11) 0.0325(5) Uani 1 1 d . . .
O2 O 0.6985(2) 0.6094(2) 0.74780(11) 0.0350(5) Uani 1 1 d . . .
N1 N 0.5008(3) 0.6106(2) 0.89961(13) 0.0264(6) Uani 1 1 d . . .
N2 N 0.1520(3) 0.8733(3) 1.22028(13) 0.0331(6) Uani 1 1 d . . .
C1 C 0.7432(3) 0.6902(3) 0.88041(15) 0.0265(6) Uani 1 1 d . . .
C2 C 0.8788(3) 0.7117(3) 0.87207(16) 0.0334(7) Uani 1 1 d . . .
H2A H 0.9038 0.6798 0.8329 0.040 Uiso 1 1 calc R . .
C3 C 0.9762(4) 0.7791(3) 0.92062(18) 0.0365(8) Uani 1 1 d . . .
H3A H 1.0681 0.7910 0.9148 0.044 Uiso 1 1 calc R . .
C4 C 0.9424(4) 0.8294(3) 0.97751(18) 0.0378(8) Uani 1 1 d . . .
H4A H 1.0104 0.8773 1.0099 0.045 Uiso 1 1 calc R . .
C5 C 0.8091(4) 0.8100(3) 0.98713(17) 0.0353(8) Uani 1 1 d . . .
H5A H 0.7850 0.8446 1.0260 0.042 Uiso 1 1 calc R . .
C6 C 0.7108(3) 0.7391(3) 0.93909(15) 0.0279(7) Uani 1 1 d . . .
C7 C 0.5711(3) 0.6985(3) 0.94669(15) 0.0271(7) Uani 1 1 d . . .
C8 C 0.5130(3) 0.7417(3) 0.99957(15) 0.0300(7) Uani 1 1 d . . .
H8A H 0.5647 0.8046 1.0315 0.036 Uiso 1 1 calc R . .
C9 C 0.3839(3) 0.6949(3) 1.00576(16) 0.0304(7) Uani 1 1 d . . .
C10 C 0.3113(3) 0.5952(3) 0.95923(16) 0.0311(7) Uani 1 1 d . . .
C11 C 0.1790(4) 0.5367(4) 0.96278(19) 0.0421(9) Uani 1 1 d . . .
H11A H 0.1330 0.5674 0.9955 0.051 Uiso 1 1 calc R . .
C12 C 0.1172(4) 0.4361(4) 0.9192(2) 0.0509(10) Uani 1 1 d . . .
H12A H 0.0286 0.3970 0.9219 0.061 Uiso 1 1 calc R . .
C13 C 0.1834(4) 0.3906(4) 0.8708(2) 0.0499(10) Uani 1 1 d . . .
H13A H 0.1404 0.3192 0.8416 0.060 Uiso 1 1 calc R . .
C14 C 0.3091(4) 0.4469(3) 0.86491(18) 0.0394(8) Uani 1 1 d . . .
H14A H 0.3530 0.4144 0.8318 0.047 Uiso 1 1 calc R . .
C15 C 0.3739(3) 0.5524(3) 0.90728(16) 0.0299(7) Uani 1 1 d . . .
C16 C 0.3240(3) 0.7433(3) 1.06189(16) 0.0320(7) Uani 1 1 d . . .
C17 C 0.2914(4) 0.6621(4) 1.10839(18) 0.0415(9) Uani 1 1 d . . .
H17A H 0.3067 0.5759 1.1038 0.050 Uiso 1 1 calc R . .
C18 C 0.2375(4) 0.7049(4) 1.16085(18) 0.0404(9) Uani 1 1 d . . .
H18A H 0.2170 0.6485 1.1923 0.048 Uiso 1 1 calc R . .
C19 C 0.2131(3) 0.8302(3) 1.16779(16) 0.0310(7) Uani 1 1 d . . .
C20 C 0.2480(3) 0.9139(3) 1.12269(16) 0.0315(7) Uani 1 1 d . . .
H20A H 0.2345 1.0006 1.1279 0.038 Uiso 1 1 calc R . .
C21 C 0.3023(3) 0.8694(3) 1.07025(16) 0.0317(7) Uani 1 1 d . . .
H21A H 0.3252 0.9262 1.0394 0.038 Uiso 1 1 calc R . .
C22 C 0.2903(4) 0.4100(3) 0.65048(18) 0.0391(8) Uani 1 1 d . . .
C23 C 0.4225(4) 0.4809(3) 0.68985(17) 0.0339(8) Uani 1 1 d . . .
C24 C 0.5306(4) 0.5208(3) 0.65751(17) 0.0398(8) Uani 1 1 d . . .
H24A H 0.5146 0.5039 0.6115 0.048 Uiso 1 1 calc R . .
C25 C 0.6576(4) 0.5822(3) 0.68621(17) 0.0360(8) Uani 1 1 d . A .
C26 C 0.7656(4) 0.6270(4) 0.64598(17) 0.0490(10) Uani 1 1 d D . .
C27 C 0.8871(7) 0.5586(9) 0.6688(4) 0.085(3) Uani 0.70 1 d PD A 1
H27A H 0.8609 0.4664 0.6588 0.128 Uiso 0.70 1 calc PR A 1
H27B H 0.9165 0.5782 0.7158 0.128 Uiso 0.70 1 calc PR A 1
H27C H 0.9616 0.5874 0.6462 0.128 Uiso 0.70 1 calc PR A 1
C28 C 0.7148(8) 0.5875(8) 0.5730(3) 0.071(2) Uani 0.70 1 d PD A 1
H28A H 0.6945 0.4944 0.5657 0.106 Uiso 0.70 1 calc PR A 1
H28B H 0.7850 0.6178 0.5482 0.106 Uiso 0.70 1 calc PR A 1
H28C H 0.6327 0.6250 0.5586 0.106 Uiso 0.70 1 calc PR A 1
C29 C 0.7966(10) 0.7678(5) 0.6593(4) 0.093(4) Uani 0.70 1 d PD A 1
H29A H 0.8659 0.8002 0.6344 0.139 Uiso 0.70 1 calc PR A 1
H29B H 0.8302 0.7901 0.7058 0.139 Uiso 0.70 1 calc PR A 1
H29C H 0.7142 0.8059 0.6463 0.139 Uiso 0.70 1 calc PR A 1
C27' C 0.9093(10) 0.6737(17) 0.6896(6) 0.068(5) Uani 0.30 1 d PD A 2
H27D H 0.8995 0.7343 0.7254 0.102 Uiso 0.30 1 calc PR A 2
H27E H 0.9703 0.7154 0.6630 0.102 Uiso 0.30 1 calc PR A 2
H27F H 0.9470 0.6004 0.7072 0.102 Uiso 0.30 1 calc PR A 2
C28' C 0.7865(19) 0.5325(15) 0.5917(8) 0.092(8) Uani 0.30 1 d PD A 2
H28D H 0.8581 0.5708 0.5697 0.138 Uiso 0.30 1 calc PR A 2
H28E H 0.7021 0.5107 0.5603 0.138 Uiso 0.30 1 calc PR A 2
H28F H 0.8126 0.4552 0.6101 0.138 Uiso 0.30 1 calc PR A 2
C29' C 0.7250(16) 0.7492(13) 0.6149(10) 0.092(8) Uani 0.30 1 d PD A 2
H29D H 0.7174 0.8139 0.6493 0.138 Uiso 0.30 1 calc PR A 2
H29E H 0.6378 0.7278 0.5856 0.138 Uiso 0.30 1 calc PR A 2
H29F H 0.7944 0.7826 0.5904 0.138 Uiso 0.30 1 calc PR A 2
C30 C 0.2246(5) 0.4984(4) 0.6034(2) 0.0593(11) Uani 1 1 d . . .
H30A H 0.2867 0.5256 0.5740 0.089 Uiso 1 1 calc R . .
H30B H 0.2051 0.5734 0.6283 0.089 Uiso 1 1 calc R . .
H30C H 0.1401 0.4526 0.5780 0.089 Uiso 1 1 calc R . .
C31 C 0.1875(5) 0.3725(5) 0.6945(2) 0.0750(16) Uani 1 1 d . . .
H31A H 0.2244 0.3158 0.7255 0.112 Uiso 1 1 calc R . .
H31B H 0.1034 0.3285 0.6679 0.112 Uiso 1 1 calc R . .
H31C H 0.1688 0.4492 0.7182 0.112 Uiso 1 1 calc R . .
C32 C 0.3151(6) 0.2918(5) 0.6119(3) 0.0841(18) Uani 1 1 d . . .
H32A H 0.3566 0.2352 0.6417 0.126 Uiso 1 1 calc R . .
H32B H 0.3759 0.3164 0.5815 0.126 Uiso 1 1 calc R . .
H32C H 0.2288 0.2475 0.5875 0.126 Uiso 1 1 calc R . .
C33 C 0.1891(3) 0.8565(3) 1.28607(15) 0.0304(7) Uani 1 1 d . . .
C34 C 0.2996(4) 0.8084(4) 1.31817(17) 0.0393(8) Uani 1 1 d . . .
H34A H 0.3640 0.7773 1.2950 0.047 Uiso 1 1 calc R . .
C35 C 0.3136(4) 0.8070(4) 1.38524(17) 0.0383(8) Uani 1 1 d . . .
H35A H 0.3889 0.7736 1.4076 0.046 Uiso 1 1 calc R . .
C36 C 0.2211(3) 0.8529(3) 1.42143(15) 0.0306(7) Uani 1 1 d . . .
C37 C 0.1101(3) 0.8996(3) 1.38804(15) 0.0284(7) Uani 1 1 d . . .
H37A H 0.0454 0.9302 1.4112 0.034 Uiso 1 1 calc R . .
C38 C 0.0931(3) 0.9018(3) 1.32068(15) 0.0251(6) Uani 1 1 d . . .
C39 C -0.0081(3) 0.9455(3) 1.27356(15) 0.0252(6) Uani 1 1 d . . .
C40 C -0.1272(3) 0.9958(3) 1.27795(15) 0.0279(7) Uani 1 1 d . . .
H40A H -0.1538 1.0093 1.3191 0.033 Uiso 1 1 calc R . .
C41 C -0.2078(3) 1.0266(3) 1.22216(16) 0.0289(7) Uani 1 1 d . . .
C42 C -0.1661(3) 1.0037(3) 1.16224(16) 0.0316(7) Uani 1 1 d . . .
H42A H -0.2212 1.0229 1.1239 0.038 Uiso 1 1 calc R . .
C43 C -0.0473(3) 0.9539(3) 1.15651(16) 0.0325(7) Uani 1 1 d . . .
H43A H -0.0210 0.9398 1.1153 0.039 Uiso 1 1 calc R . .
C44 C 0.0308(3) 0.9258(3) 1.21222(15) 0.0270(7) Uani 1 1 d . . .
C45 C 0.2384(3) 0.8520(3) 1.49558(16) 0.0335(7) Uani 1 1 d . . .
C46 C 0.3684(4) 0.8017(4) 1.52465(18) 0.0476(10) Uani 1 1 d . . .
H46A H 0.4469 0.8549 1.5139 0.071 Uiso 1 1 calc R . .
H46B H 0.3658 0.7137 1.5066 0.071 Uiso 1 1 calc R . .
H46C H 0.3755 0.8044 1.5720 0.071 Uiso 1 1 calc R . .
C47 C 0.1174(4) 0.7662(4) 1.51314(19) 0.0496(10) Uani 1 1 d . . .
H47A H 0.1282 0.7655 1.5605 0.074 Uiso 1 1 calc R . .
H47B H 0.1136 0.6794 1.4932 0.074 Uiso 1 1 calc R . .
H47C H 0.0333 0.7993 1.4969 0.074 Uiso 1 1 calc R . .
C48 C 0.2430(5) 0.9877(4) 1.52603(19) 0.0508(10) Uani 1 1 d . . .
H48A H 0.3199 1.0425 1.5148 0.076 Uiso 1 1 calc R . .
H48B H 0.2532 0.9877 1.5734 0.076 Uiso 1 1 calc R . .
H48C H 0.1587 1.0200 1.5094 0.076 Uiso 1 1 calc R . .
C49 C -0.3382(4) 1.0838(4) 1.22715(18) 0.0427(9) Uani 1 1 d . . .
C50 C -0.4146(4) 1.1068(4) 1.1614(2) 0.0539(11) Uani 1 1 d . . .
H50A H -0.3578 1.1679 1.1410 0.081 Uiso 1 1 calc R . .
H50B H -0.4979 1.1409 1.1672 0.081 Uiso 1 1 calc R . .
H50D H -0.4376 1.0262 1.1337 0.081 Uiso 1 1 calc R . .
C51 C -0.4364(5) 0.9863(5) 1.2557(3) 0.0688(14) Uani 1 1 d . . .
H51A H -0.5201 1.0218 1.2591 0.103 Uiso 1 1 calc R . .
H51D H -0.3931 0.9689 1.2989 0.103 Uiso 1 1 calc R . .
H51B H -0.4577 0.9069 1.2270 0.103 Uiso 1 1 calc R . .
C52 C -0.3076(6) 1.2029(5) 1.2723(3) 0.0813(18) Uani 1 1 d . . .
H52D H -0.2460 1.2659 1.2554 0.122 Uiso 1 1 calc R . .
H52A H -0.2649 1.1838 1.3154 0.122 Uiso 1 1 calc R . .
H52B H -0.3919 1.2372 1.2759 0.122 Uiso 1 1 calc R . .
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'
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 90.06(12) . .
C1 Pt N1 80.59(12) . .
O2 Pt N1 169.79(10) . .
C1 Pt O1 177.90(10) . .
O2 Pt O1 88.62(9) . .
N1 Pt O1 100.62(10) . .
C23 O1 Pt 126.6(2) . .
C25 O2 Pt 128.0(2) . .
C7 N1 C15 118.8(3) . .
C7 N1 Pt 113.3(2) . .
C15 N1 Pt 127.5(2) . .
C33 N2 C44 108.4(3) . .
C33 N2 C19 127.3(3) . .
C44 N2 C19 123.8(3) . .
C6 C1 C2 117.9(3) . .
C6 C1 Pt 115.0(2) . .
C2 C1 Pt 127.1(2) . .
C3 C2 C1 120.3(3) . .
C3 C2 H2A 119.8 . .
C1 C2 H2A 119.8 . .
C2 C3 C4 121.2(3) . .
C2 C3 H3A 119.4 . .
C4 C3 H3A 119.4 . .
C3 C4 C5 119.9(3) . .
C3 C4 H4A 120.1 . .
C5 C4 H4A 120.1 . .
C4 C5 C6 119.3(3) . .
C4 C5 H5A 120.4 . .
C6 C5 H5A 120.4 . .
C5 C6 C1 121.4(3) . .
C5 C6 C7 124.4(3) . .
C1 C6 C7 113.9(3) . .
N1 C7 C8 121.5(3) . .
N1 C7 C6 114.4(3) . .
C8 C7 C6 124.1(3) . .
C9 C8 C7 121.3(3) . .
C9 C8 H8A 119.4 . .
C7 C8 H8A 119.4 . .
C8 C9 C10 118.2(3) . .
C8 C9 C16 120.3(3) . .
C10 C9 C16 121.4(3) . .
C9 C10 C15 118.9(3) . .
C9 C10 C11 122.6(3) . .
C15 C10 C11 118.5(3) . .
C12 C11 C10 120.2(4) . .
C12 C11 H11A 119.9 . .
C10 C11 H11A 119.9 . .
C11 C12 C13 120.4(4) . .
C11 C12 H12A 119.8 . .
C13 C12 H12A 119.8 . .
C14 C13 C12 120.9(4) . .
C14 C13 H13A 119.6 . .
C12 C13 H13A 119.6 . .
C13 C14 C15 120.4(3) . .
C13 C14 H14A 119.8 . .
C15 C14 H14A 119.8 . .
N1 C15 C14 119.7(3) . .
N1 C15 C10 120.9(3) . .
C14 C15 C10 119.4(3) . .
C21 C16 C17 118.3(3) . .
C21 C16 C9 121.6(3) . .
C17 C16 C9 120.1(3) . .
C18 C17 C16 121.2(3) . .
C18 C17 H17A 119.4 . .
C16 C17 H17A 119.4 . .
C17 C18 C19 120.0(3) . .
C17 C18 H18A 120.0 . .
C19 C18 H18A 120.0 . .
C18 C19 C20 119.8(3) . .
C18 C19 N2 120.2(3) . .
C20 C19 N2 120.0(3) . .
C21 C20 C19 119.4(3) . .
C21 C20 H20A 120.3 . .
C19 C20 H20A 120.3 . .
C20 C21 C16 121.3(3) . .
C20 C21 H21A 119.4 . .
C16 C21 H21A 119.4 . .
C32 C22 C23 111.0(3) . .
C32 C22 C31 109.5(4) . .
C23 C22 C31 111.3(3) . .
C32 C22 C30 109.2(4) . .
C23 C22 C30 109.6(3) . .
C31 C22 C30 106.1(4) . .
O1 C23 C24 124.3(3) . .
O1 C23 C22 116.3(3) . .
C24 C23 C22 119.4(3) . .
C25 C24 C23 126.4(3) . .
C25 C24 H24A 116.8 . .
C23 C24 H24A 116.8 . .
O2 C25 C24 125.4(3) . .
O2 C25 C26 112.6(3) . .
C24 C25 C26 122.0(3) . .
C29 C26 C25 107.0(4) . .
C28' C26 C25 116.6(8) . .
C29 C26 C27 113.0(5) . .
C25 C26 C27 105.9(4) . .
C29 C26 C28 111.2(5) . .
C25 C26 C28 110.9(4) . .
C27 C26 C28 108.6(4) . .
C28' C26 C29' 108.0(7) . .
C25 C26 C29' 107.4(7) . .
C28' C26 C27' 107.3(7) . .
C25 C26 C27' 112.6(6) . .
C29' C26 C27' 104.1(6) . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C26 C28 H28A 109.5 . .
C26 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C26 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C26 C29 H29A 109.5 . .
C26 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C26 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C26 C27' H27D 109.5 . .
C26 C27' H27E 109.5 . .
H27D C27' H27E 109.5 . .
C26 C27' H27F 109.5 . .
H27D C27' H27F 109.5 . .
H27E C27' H27F 109.5 . .
C26 C28' H28D 109.5 . .
C26 C28' H28E 109.5 . .
H28D C28' H28E 109.5 . .
C26 C28' H28F 109.5 . .
H28D C28' H28F 109.5 . .
H28E C28' H28F 109.5 . .
C26 C29' H29D 109.5 . .
C26 C29' H29E 109.5 . .
H29D C29' H29E 109.5 . .
C26 C29' H29F 109.5 . .
H29D C29' H29F 109.5 . .
H29E C29' H29F 109.5 . .
C22 C30 H30A 109.5 . .
C22 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C22 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C22 C31 H31A 109.5 . .
C22 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C22 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C22 C32 H32A 109.5 . .
C22 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C22 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C34 C33 N2 130.4(3) . .
C34 C33 C38 120.7(3) . .
N2 C33 C38 108.8(3) . .
C33 C34 C35 118.0(3) . .
C33 C34 H34A 121.0 . .
C35 C34 H34A 121.0 . .
C34 C35 C36 122.9(3) . .
C34 C35 H35A 118.6 . .
C36 C35 H35A 118.6 . .
C37 C36 C35 118.1(3) . .
C37 C36 C45 119.5(3) . .
C35 C36 C45 122.4(3) . .
C36 C37 C38 120.3(3) . .
C36 C37 H37A 119.9 . .
C38 C37 H37A 119.9 . .
C37 C38 C33 120.0(3) . .
C37 C38 C39 133.0(3) . .
C33 C38 C39 107.0(3) . .
C40 C39 C44 119.5(3) . .
C40 C39 C38 133.6(3) . .
C44 C39 C38 106.9(3) . .
C39 C40 C41 120.3(3) . .
C39 C40 H40A 119.8 . .
C41 C40 H40A 119.8 . .
C40 C41 C42 118.1(3) . .
C40 C41 C49 120.3(3) . .
C42 C41 C49 121.6(3) . .
C43 C42 C41 122.7(3) . .
C43 C42 H42A 118.6 . .
C41 C42 H42A 118.6 . .
C44 C43 C42 117.9(3) . .
C44 C43 H43A 121.0 . .
C42 C43 H43A 121.0 . .
C43 C44 N2 129.8(3) . .
C43 C44 C39 121.4(3) . .
N2 C44 C39 108.8(3) . .
C48 C45 C36 109.0(3) . .
C48 C45 C46 108.4(3) . .
C36 C45 C46 112.6(3) . .
C48 C45 C47 109.4(3) . .
C36 C45 C47 109.3(3) . .
C46 C45 C47 108.1(3) . .
C45 C46 H46A 109.5 . .
C45 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
C45 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
C45 C47 H47A 109.5 . .
C45 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
C45 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
C45 C48 H48A 109.5 . .
C45 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C45 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
C52 C49 C50 111.3(4) . .
C52 C49 C41 110.4(3) . .
C50 C49 C41 112.8(3) . .
C52 C49 C51 107.9(4) . .
C50 C49 C51 105.6(4) . .
C41 C49 C51 108.7(3) . .
C49 C50 H50A 109.5 . .
C49 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
C49 C50 H50D 109.5 . .
H50A C50 H50D 109.5 . .
H50B C50 H50D 109.5 . .
C49 C51 H51A 109.5 . .
C49 C51 H51D 109.5 . .
H51A C51 H51D 109.5 . .
C49 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
H51D C51 H51B 109.5 . .
C49 C52 H52D 109.5 . .
C49 C52 H52A 109.5 . .
H52D C52 H52A 109.5 . .
C49 C52 H52B 109.5 . .
H52D C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt C1 1.960(3) .
Pt O2 1.989(2) .
Pt N1 2.046(3) .
Pt O1 2.099(2) .
O1 C23 1.265(4) .
O2 C25 1.289(4) .
N1 C7 1.350(4) .
N1 C15 1.391(4) .
N2 C33 1.397(4) .
N2 C44 1.401(4) .
N2 C19 1.422(4) .
C1 C6 1.404(4) .
C1 C2 1.402(4) .
C2 C3 1.382(5) .
C2 H2A 0.9500 .
C3 C4 1.382(5) .
C3 H3A 0.9500 .
C4 C5 1.387(5) .
C4 H4A 0.9500 .
C5 C6 1.395(5) .
C5 H5A 0.9500 .
C6 C7 1.461(4) .
C7 C8 1.410(4) .
C8 C9 1.366(5) .
C8 H8A 0.9500 .
C9 C10 1.427(5) .
C9 C16 1.496(4) .
C10 C15 1.420(5) .
C10 C11 1.417(5) .
C11 C12 1.370(6) .
C11 H11A 0.9500 .
C12 C13 1.393(6) .
C12 H12A 0.9500 .
C13 C14 1.362(5) .
C13 H13A 0.9500 .
C14 C15 1.399(5) .
C14 H14A 0.9500 .
C16 C21 1.389(5) .
C16 C17 1.396(5) .
C17 C18 1.377(5) .
C17 H17A 0.9500 .
C18 C19 1.388(5) .
C18 H18A 0.9500 .
C19 C20 1.397(5) .
C20 C21 1.386(5) .
C20 H20A 0.9500 .
C21 H21A 0.9500 .
C22 C32 1.516(6) .
C22 C23 1.527(5) .
C22 C31 1.531(6) .
C22 C30 1.541(5) .
C23 C24 1.412(5) .
C24 C25 1.384(5) .
C24 H24A 0.9500 .
C25 C26 1.533(5) .
C26 C29 1.487(6) .
C26 C28' 1.522(8) .
C26 C27 1.534(6) .
C26 C28 1.541(6) .
C26 C29' 1.565(8) .
C26 C27' 1.585(8) .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C27' H27D 0.9800 .
C27' H27E 0.9800 .
C27' H27F 0.9800 .
C28' H28D 0.9800 .
C28' H28E 0.9800 .
C28' H28F 0.9800 .
C29' H29D 0.9800 .
C29' H29E 0.9800 .
C29' H29F 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 C34 1.383(5) .
C33 C38 1.413(4) .
C34 C35 1.389(5) .
C34 H34A 0.9500 .
C35 C36 1.407(5) .
C35 H35A 0.9500 .
C36 C37 1.390(5) .
C36 C45 1.534(4) .
C37 C38 1.395(4) .
C37 H37A 0.9500 .
C38 C39 1.448(4) .
C39 C40 1.392(4) .
C39 C44 1.412(4) .
C40 C41 1.395(4) .
C40 H40A 0.9500 .
C41 C42 1.401(5) .
C41 C49 1.537(5) .
C42 C43 1.392(5) .
C42 H42A 0.9500 .
C43 C44 1.372(4) .
C43 H43A 0.9500 .
C45 C48 1.528(5) .
C45 C46 1.533(5) .
C45 C47 1.540(5) .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 H46C 0.9800 .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C49 C52 1.494(6) .
C49 C50 1.516(5) .
C49 C51 1.560(6) .
C50 H50A 0.9800 .
C50 H50B 0.9800 .
C50 H50D 0.9800 .
C51 H51A 0.9800 .
C51 H51D 0.9800 .
C51 H51B 0.9800 .
C52 H52D 0.9800 .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
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
O2 Pt O1 C23 -4.4(3) . . . .
N1 Pt O1 C23 171.2(3) . . . .
C1 Pt O2 C25 -169.3(3) . . . .
N1 Pt O2 C25 -145.9(5) . . . .
O1 Pt O2 C25 9.0(3) . . . .
C1 Pt N1 C7 15.6(2) . . . .
O2 Pt N1 C7 -8.2(6) . . . .
O1 Pt N1 C7 -162.6(2) . . . .
C1 Pt N1 C15 -172.2(3) . . . .
O2 Pt N1 C15 164.0(5) . . . .
O1 Pt N1 C15 9.6(3) . . . .
O2 Pt C1 C6 164.0(2) . . . .
N1 Pt C1 C6 -11.8(2) . . . .
O2 Pt C1 C2 -16.6(3) . . . .
N1 Pt C1 C2 167.5(3) . . . .
C6 C1 C2 C3 0.0(5) . . . .
Pt C1 C2 C3 -179.3(3) . . . .
C1 C2 C3 C4 -1.7(5) . . . .
C2 C3 C4 C5 1.5(5) . . . .
C3 C4 C5 C6 0.3(5) . . . .
C4 C5 C6 C1 -1.9(5) . . . .
C4 C5 C6 C7 171.9(3) . . . .
C2 C1 C6 C5 1.8(5) . . . .
Pt C1 C6 C5 -178.8(2) . . . .
C2 C1 C6 C7 -172.7(3) . . . .
Pt C1 C6 C7 6.7(3) . . . .
C15 N1 C7 C8 -6.8(4) . . . .
Pt N1 C7 C8 166.2(2) . . . .
C15 N1 C7 C6 170.8(3) . . . .
Pt N1 C7 C6 -16.2(3) . . . .
C5 C6 C7 N1 -167.6(3) . . . .
C1 C6 C7 N1 6.6(4) . . . .
C5 C6 C7 C8 9.9(5) . . . .
C1 C6 C7 C8 -175.8(3) . . . .
N1 C7 C8 C9 1.0(5) . . . .
C6 C7 C8 C9 -176.4(3) . . . .
C7 C8 C9 C10 3.6(5) . . . .
C7 C8 C9 C16 -179.3(3) . . . .
C8 C9 C10 C15 -2.4(5) . . . .
C16 C9 C10 C15 -179.5(3) . . . .
C8 C9 C10 C11 177.5(3) . . . .
C16 C9 C10 C11 0.4(5) . . . .
C9 C10 C11 C12 -175.9(4) . . . .
C15 C10 C11 C12 4.0(5) . . . .
C10 C11 C12 C13 -0.2(6) . . . .
C11 C12 C13 C14 -1.7(7) . . . .
C12 C13 C14 C15 -0.3(6) . . . .
C7 N1 C15 C14 -169.5(3) . . . .
Pt N1 C15 C14 18.7(4) . . . .
C7 N1 C15 C10 7.9(4) . . . .
Pt N1 C15 C10 -163.9(2) . . . .
C13 C14 C15 N1 -178.5(3) . . . .
C13 C14 C15 C10 4.0(5) . . . .
C9 C10 C15 N1 -3.3(5) . . . .
C11 C10 C15 N1 176.8(3) . . . .
C9 C10 C15 C14 174.1(3) . . . .
C11 C10 C15 C14 -5.8(5) . . . .
C8 C9 C16 C21 63.9(4) . . . .
C10 C9 C16 C21 -119.2(4) . . . .
C8 C9 C16 C17 -114.6(4) . . . .
C10 C9 C16 C17 62.4(5) . . . .
C21 C16 C17 C18 0.8(6) . . . .
C9 C16 C17 C18 179.3(4) . . . .
C16 C17 C18 C19 0.8(6) . . . .
C17 C18 C19 C20 -2.3(6) . . . .
C17 C18 C19 N2 177.2(3) . . . .
C33 N2 C19 C18 49.2(5) . . . .
C44 N2 C19 C18 -121.8(4) . . . .
C33 N2 C19 C20 -131.3(4) . . . .
C44 N2 C19 C20 57.7(5) . . . .
C18 C19 C20 C21 2.2(5) . . . .
N2 C19 C20 C21 -177.3(3) . . . .
C19 C20 C21 C16 -0.5(5) . . . .
C17 C16 C21 C20 -1.0(5) . . . .
C9 C16 C21 C20 -179.4(3) . . . .
Pt O1 C23 C24 0.0(5) . . . .
Pt O1 C23 C22 -179.4(2) . . . .
C32 C22 C23 O1 -124.1(4) . . . .
C31 C22 C23 O1 -1.9(5) . . . .
C30 C22 C23 O1 115.1(4) . . . .
C32 C22 C23 C24 56.5(5) . . . .
C31 C22 C23 C24 178.7(4) . . . .
C30 C22 C23 C24 -64.3(4) . . . .
O1 C23 C24 C25 2.8(6) . . . .
C22 C23 C24 C25 -177.8(3) . . . .
Pt O2 C25 C24 -9.5(5) . . . .
Pt O2 C25 C26 169.8(2) . . . .
C23 C24 C25 O2 2.2(6) . . . .
C23 C24 C25 C26 -177.1(3) . . . .
O2 C25 C26 C29 -61.0(5) . . . .
C24 C25 C26 C29 118.3(5) . . . .
O2 C25 C26 C28' 134.7(9) . . . .
C24 C25 C26 C28' -45.9(10) . . . .
O2 C25 C26 C27 59.8(5) . . . .
C24 C25 C26 C27 -120.8(5) . . . .
O2 C25 C26 C28 177.5(4) . . . .
C24 C25 C26 C28 -3.1(6) . . . .
O2 C25 C26 C29' -104.0(8) . . . .
C24 C25 C26 C29' 75.4(9) . . . .
O2 C25 C26 C27' 10.1(8) . . . .
C24 C25 C26 C27' -170.6(8) . . . .
C44 N2 C33 C34 -179.9(4) . . . .
C19 N2 C33 C34 8.0(6) . . . .
C44 N2 C33 C38 -1.6(4) . . . .
C19 N2 C33 C38 -173.7(3) . . . .
N2 C33 C34 C35 177.7(4) . . . .
C38 C33 C34 C35 -0.5(6) . . . .
C33 C34 C35 C36 -0.4(6) . . . .
C34 C35 C36 C37 1.0(6) . . . .
C34 C35 C36 C45 -179.4(3) . . . .
C35 C36 C37 C38 -0.8(5) . . . .
C45 C36 C37 C38 179.6(3) . . . .
C36 C37 C38 C33 0.0(5) . . . .
C36 C37 C38 C39 -178.8(3) . . . .
C34 C33 C38 C37 0.7(5) . . . .
N2 C33 C38 C37 -177.8(3) . . . .
C34 C33 C38 C39 179.8(3) . . . .
N2 C33 C38 C39 1.2(4) . . . .
C37 C38 C39 C40 -3.1(6) . . . .
C33 C38 C39 C40 178.0(4) . . . .
C37 C38 C39 C44 178.5(3) . . . .
C33 C38 C39 C44 -0.4(4) . . . .
C44 C39 C40 C41 0.1(5) . . . .
C38 C39 C40 C41 -178.1(3) . . . .
C39 C40 C41 C42 0.9(5) . . . .
C39 C40 C41 C49 -179.2(3) . . . .
C40 C41 C42 C43 -1.1(5) . . . .
C49 C41 C42 C43 178.9(3) . . . .
C41 C42 C43 C44 0.4(5) . . . .
C42 C43 C44 N2 178.6(3) . . . .
C42 C43 C44 C39 0.5(5) . . . .
C33 N2 C44 C43 -176.9(3) . . . .
C19 N2 C44 C43 -4.5(6) . . . .
C33 N2 C44 C39 1.4(4) . . . .
C19 N2 C44 C39 173.8(3) . . . .
C40 C39 C44 C43 -0.8(5) . . . .
C38 C39 C44 C43 177.9(3) . . . .
C40 C39 C44 N2 -179.2(3) . . . .
C38 C39 C44 N2 -0.6(4) . . . .
C37 C36 C45 C48 -57.7(4) . . . .
C35 C36 C45 C48 122.8(4) . . . .
C37 C36 C45 C46 -178.1(3) . . . .
C35 C36 C45 C46 2.4(5) . . . .
C37 C36 C45 C47 61.8(4) . . . .
C35 C36 C45 C47 -117.7(4) . . . .
C40 C41 C49 C52 56.8(5) . . . .
C42 C41 C49 C52 -123.2(4) . . . .
C40 C41 C49 C50 -178.0(3) . . . .
C42 C41 C49 C50 1.9(5) . . . .
C40 C41 C49 C51 -61.3(5) . . . .
C42 C41 C49 C51 118.7(4) . . . .
