#------------------------------------------------------------------------------
#$Date: 2018-08-12 07:01:02 +0300 (Sun, 12 Aug 2018) $
#$Revision: 209621 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/06/7030613.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_7030613
loop_
_publ_author_name
'Tan, Runyu'
'Song, Datong'
_publ_section_title
;
 Reductive dearomatization of a substituted benzene triggered by a
 strong oxidant
;
_journal_coden_ASTM              DTARAF
_journal_issue                   44
_journal_name_full               'Dalton Transactions'
_journal_page_first              9892
_journal_page_last               9897
_journal_paper_doi               10.1039/b919233f
_journal_year                    2009
_chemical_formula_sum            'C72 H46 Cl6 F12 N4 O4 Pt2'
_chemical_formula_weight         1862.01
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.6500(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.0461(2)
_cell_length_b                   21.5220(4)
_cell_length_c                   15.2720(4)
_cell_measurement_reflns_used    28705
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.53
_cell_measurement_theta_min      2.31
_cell_volume                     3279.78(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0513
_diffrn_reflns_av_sigmaI/netI    0.0594
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            28705
_diffrn_reflns_theta_full        27.53
_diffrn_reflns_theta_max         27.53
_diffrn_reflns_theta_min         2.31
_exptl_absorpt_coefficient_mu    4.595
_exptl_absorpt_correction_T_max  0.837
_exptl_absorpt_correction_T_min  0.694
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker Apex 2'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.885
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1808
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.357
_refine_diff_density_min         -1.526
_refine_diff_density_rms         0.152
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     398
_refine_ls_number_reflns         7506
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0619
_refine_ls_R_factor_gt           0.0368
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0293P)²+9.7756P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0736
_refine_ls_wR_factor_ref         0.0817
_reflns_number_gt                5621
_reflns_number_total             7506
_reflns_threshold_expression     >2sigma(I)
_cod_duplicate_entry             7002765
_cod_data_source_file            b919233f.txt
_cod_data_source_block           2b
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7030613
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 1.034842(19) 0.132312(8) 0.400071(12) 0.01491(6) Uani 1 1 d . . .
Cl1 Cl 1.08394(14) 0.21541(6) 0.29963(9) 0.0262(3) Uani 1 1 d . . .
Cl2 Cl 0.2695(13) 0.0901(5) 0.0808(7) 0.158(6) Uani 0.50 1 d P A 1
Cl2A Cl 0.3434(9) 0.1153(4) 0.0906(4) 0.099(3) Uani 0.50 1 d P B 2
Cl3 Cl 0.4500(10) 0.1802(5) 0.1636(7) 0.133(4) Uani 0.50 1 d P A 1
Cl3A Cl 0.4888(8) 0.2020(4) 0.2117(5) 0.081(2) Uani 0.50 1 d P B 2
F1 F 1.5304(6) 0.13029(19) 0.8854(3) 0.0855(19) Uani 1 1 d . . .
F2 F 1.5074(5) 0.03833(18) 0.9253(2) 0.0620(12) Uani 1 1 d . . .
F3 F 1.3366(6) 0.0961(3) 0.8934(3) 0.0931(18) Uani 1 1 d . . .
F4 F 0.9992(11) 0.1144(5) 0.8322(7) 0.050(3) Uiso 0.50 1 d P . .
F4A F 1.0100(12) 0.1290(6) 0.8207(8) 0.056(4) Uiso 0.50 1 d P . .
F5 F 0.8626(9) 0.1035(5) 0.9163(6) 0.052(2) Uiso 0.50 1 d P . .
F5A F 0.8465(12) 0.1290(6) 0.9096(8) 0.083(4) Uiso 0.50 1 d P C .
F6 F 0.8686(9) 0.1918(5) 0.8592(6) 0.051(2) Uiso 0.50 1 d P . .
F6A F 0.8978(13) 0.2047(6) 0.8332(9) 0.090(4) Uiso 0.50 1 d P C .
O1 O 1.4462(4) 0.06071(17) 0.7894(2) 0.0342(10) Uani 1 1 d . . .
O2A O 0.7807(11) 0.1320(5) 0.7687(7) 0.049(3) Uiso 0.50 1 d P C 2
O2 O 0.7975(8) 0.1091(4) 0.7788(5) 0.0226(19) Uiso 0.50 1 d P C 1
N1 N 1.1325(4) 0.17924(18) 0.5152(3) 0.0177(9) Uani 1 1 d . . .
N2A N 0.8531(13) 0.1781(6) 0.4208(8) 0.017(3) Uiso 0.50 1 d P C 2
N2 N 0.8539(12) 0.1770(6) 0.4404(8) 0.016(3) Uiso 0.50 1 d P C 1
C1 C 1.1390(5) 0.2409(2) 0.5083(3) 0.0224(11) Uani 1 1 d . . .
H1 H 1.0818 0.2607 0.4629 0.027 Uiso 1 1 calc R C .
C1S C 0.3204(19) 0.1245(8) 0.1754(12) 0.068(5) Uiso 0.50 1 d P A 1
H1SA H 0.3545 0.0928 0.2193 0.081 Uiso 0.50 1 calc PR A 1
H1SB H 0.2435 0.1457 0.1976 0.081 Uiso 0.50 1 calc PR A 1
C1SA C 0.3706(15) 0.1439(7) 0.2000(9) 0.041(3) Uiso 0.50 1 d P B 2
H1SC H 0.2850 0.1601 0.2172 0.050 Uiso 0.50 1 calc PR B 2
H1SD H 0.4002 0.1094 0.2404 0.050 Uiso 0.50 1 calc PR B 2
C2 C 1.2258(6) 0.2779(2) 0.5645(4) 0.0264(12) Uani 1 1 d . C .
H2 H 1.2268 0.3218 0.5578 0.032 Uiso 1 1 calc R . .
C3 C 1.3073(6) 0.2498(2) 0.6279(3) 0.0247(12) Uani 1 1 d . . .
H3 H 1.3707 0.2739 0.6644 0.030 Uiso 1 1 calc R C .
C4 C 1.3004(5) 0.1842(2) 0.6414(3) 0.0207(11) Uani 1 1 d . C .
C5 C 1.3829(6) 0.1554(3) 0.7101(3) 0.0252(12) Uani 1 1 d . . .
H5 H 1.4486 0.1784 0.7463 0.030 Uiso 1 1 calc R C .
C6 C 1.3664(5) 0.0942(2) 0.7233(3) 0.0240(12) Uani 1 1 d . C .
C7 C 1.2730(5) 0.0591(2) 0.6712(3) 0.0211(11) Uani 1 1 d . . .
H7 H 1.2626 0.0165 0.6854 0.025 Uiso 1 1 calc R C .
C8 C 1.1943(5) 0.0834(2) 0.5994(3) 0.0165(10) Uani 1 1 d . C .
C9 C 1.2073(5) 0.1489(2) 0.5839(3) 0.0196(11) Uani 1 1 d . . .
C10 C 1.4576(8) 0.0823(3) 0.8714(4) 0.0453(18) Uani 1 1 d . . .
C11A C 0.7885(14) 0.2225(6) 0.3784(8) 0.0234(12) Uiso 0.50 1 d P C 2
H11A H 0.8053 0.2297 0.3193 0.028 Uiso 0.50 1 calc PR C 2
C11 C 0.7924(14) 0.2279(6) 0.4014(7) 0.0200(11) Uiso 0.50 1 d P C 1
H11 H 0.8120 0.2410 0.3449 0.024 Uiso 0.50 1 calc PR C 1
C12A C 0.6965(12) 0.2603(6) 0.4127(8) 0.0234(12) Uiso 0.50 1 d P C 2
H12A H 0.6528 0.2926 0.3781 0.028 Uiso 0.50 1 calc PR C 2
C12 C 0.6976(11) 0.2615(5) 0.4465(8) 0.0200(11) Uiso 0.50 1 d P C 1
H12 H 0.6496 0.2953 0.4181 0.024 Uiso 0.50 1 calc PR C 1
C13A C 0.6689(13) 0.2504(6) 0.4980(8) 0.0234(12) Uiso 0.50 1 d P C 2
H13A H 0.6069 0.2759 0.5240 0.028 Uiso 0.50 1 calc PR C 2
C13 C 0.6760(12) 0.2453(5) 0.5293(7) 0.0200(11) Uiso 0.50 1 d P C 1
H13 H 0.6154 0.2685 0.5598 0.024 Uiso 0.50 1 calc PR C 1
C14A C 0.7371(9) 0.2002(4) 0.5463(5) 0.0234(12) Uiso 0.50 1 d PG C 2
C15A C 0.7240(8) 0.1899(4) 0.6347(5) 0.0234(12) Uiso 0.50 1 d PG C 2
H15A H 0.6659 0.2153 0.6641 0.028 Uiso 0.50 1 calc PR C 2
C16A C 0.7960(9) 0.1425(4) 0.6802(4) 0.0234(12) Uiso 0.50 1 d PG C 2
C17A C 0.8811(10) 0.1053(4) 0.6372(5) 0.0234(12) Uiso 0.50 1 d PG C 2
H17A H 0.9303 0.0729 0.6682 0.028 Uiso 0.50 1 calc PR C 2
C18A C 0.8941(11) 0.1156(5) 0.5487(6) 0.0234(12) Uiso 0.50 1 d PG C 2
C19A C 0.8221(11) 0.1630(5) 0.5033(4) 0.0234(12) Uiso 0.50 1 d PG C 2
C14 C 0.7449(8) 0.1932(4) 0.5703(5) 0.0200(11) Uiso 0.50 1 d PG C 1
C15 C 0.7404(8) 0.1776(4) 0.6583(5) 0.0200(11) Uiso 0.50 1 d PG C 1
H15B H 0.6840 0.2002 0.6927 0.024 Uiso 0.50 1 calc PR C 1
C16 C 0.8182(8) 0.1290(4) 0.6958(4) 0.0200(11) Uiso 0.50 1 d PG C 1
C17 C 0.9006(9) 0.0959(4) 0.6453(5) 0.0200(11) Uiso 0.50 1 d PG C 1
H17B H 0.9538 0.0627 0.6710 0.024 Uiso 0.50 1 calc PR C 1
C18 C 0.9052(10) 0.1115(5) 0.5574(5) 0.0200(11) Uiso 0.50 1 d PG C 1
C19 C 0.8274(10) 0.1602(5) 0.5199(4) 0.0200(11) Uiso 0.50 1 d PG C 1
C20A C 0.8942(12) 0.1438(6) 0.8421(8) 0.0234(12) Uiso 0.50 1 d P C 2
C20 C 0.8682(11) 0.1243(5) 0.8316(8) 0.0200(11) Uiso 0.50 1 d P C 1
C21 C 1.2210(5) 0.0969(2) 0.3911(3) 0.0172(10) Uani 1 1 d . C .
C22 C 1.3325(5) 0.1356(3) 0.4032(4) 0.0281(12) Uani 1 1 d . . .
H22 H 1.3203 0.1791 0.4091 0.034 Uiso 1 1 calc R C .
C23 C 1.4626(6) 0.1116(3) 0.4070(5) 0.0447(17) Uani 1 1 d . C .
H23 H 1.5375 0.1387 0.4165 0.054 Uiso 1 1 calc R . .
C24 C 1.4820(6) 0.0498(3) 0.3972(5) 0.0484(18) Uani 1 1 d . . .
H24 H 1.5704 0.0335 0.4010 0.058 Uiso 1 1 calc R C .
C25 C 1.3739(6) 0.0105(3) 0.3817(4) 0.0377(15) Uani 1 1 d . C .
H25 H 1.3872 -0.0326 0.3720 0.045 Uiso 1 1 calc R . .
C26 C 1.2460(5) 0.0340(2) 0.3804(3) 0.0237(12) Uani 1 1 d . . .
H26 H 1.1722 0.0062 0.3718 0.028 Uiso 1 1 calc R C .
C27 C 0.9447(5) 0.0909(2) 0.2870(3) 0.0231(12) Uani 1 1 d . C .
C28A C 0.800(2) 0.0972(11) 0.2689(15) 0.0281(18) Uiso 0.50 1 d P C 2
H28A H 0.7522 0.1158 0.3120 0.034 Uiso 0.50 1 calc PR C 2
C28 C 0.815(2) 0.0933(11) 0.2613(15) 0.0284(18) Uiso 0.50 1 d P C 1
H28 H 0.7573 0.1110 0.2999 0.034 Uiso 0.50 1 calc PR C 1
C29A C 0.7316(14) 0.0771(7) 0.1916(9) 0.0281(18) Uiso 0.50 1 d P C 2
H29A H 0.6374 0.0829 0.1807 0.034 Uiso 0.50 1 calc PR C 2
C29 C 0.7563(15) 0.0698(7) 0.1763(10) 0.0284(18) Uiso 0.50 1 d P C 1
H29 H 0.6621 0.0709 0.1605 0.034 Uiso 0.50 1 calc PR C 1
C30A C 0.7984(13) 0.0488(6) 0.1306(9) 0.0281(18) Uiso 0.50 1 d P C 2
H30A H 0.7519 0.0372 0.0753 0.034 Uiso 0.50 1 calc PR C 2
C30 C 0.8404(14) 0.0457(6) 0.1182(9) 0.0284(18) Uiso 0.50 1 d P C 1
H30 H 0.8035 0.0270 0.0645 0.034 Uiso 0.50 1 calc PR C 1
C31A C 0.9387(14) 0.0364(6) 0.1491(9) 0.0281(18) Uiso 0.50 1 d P C 2
H31A H 0.9849 0.0132 0.1092 0.034 Uiso 0.50 1 calc PR C 2
C31 C 0.9737(13) 0.0491(6) 0.1386(9) 0.0284(18) Uiso 0.50 1 d P C 1
H31 H 1.0304 0.0369 0.0960 0.034 Uiso 0.50 1 calc PR C 1
C32A C 1.0056(14) 0.0595(7) 0.2274(10) 0.0281(18) Uiso 0.50 1 d P C 2
H32A H 1.0994 0.0526 0.2390 0.034 Uiso 0.50 1 calc PR C 2
C32 C 1.0312(15) 0.0702(7) 0.2211(10) 0.0284(18) Uiso 0.50 1 d P C 1
H32 H 1.1259 0.0712 0.2345 0.034 Uiso 0.50 1 calc PR C 1
C33 C 0.9771(5) 0.0683(2) 0.4958(3) 0.0146(10) Uani 1 1 d . . .
C34 C 1.0972(5) 0.0413(2) 0.5473(3) 0.0154(10) Uani 1 1 d . . .
C35 C 1.1164(5) -0.0209(2) 0.5471(3) 0.0160(10) Uani 1 1 d . . .
H35 H 1.1979 -0.0358 0.5776 0.019 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'
F F 0.0171 0.0103 '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
C21 Pt1 C27 95.7(2) . .
C21 Pt1 N2A 172.5(4) . .
C27 Pt1 N2A 91.3(4) . .
C21 Pt1 C33 97.40(18) . .
C27 Pt1 C33 99.60(19) . .
N2A Pt1 C33 83.8(4) . .
C21 Pt1 N1 84.02(17) . .
C27 Pt1 N1 177.37(17) . .
N2A Pt1 N1 88.8(4) . .
C33 Pt1 N1 83.03(16) . .
C21 Pt1 N2 166.8(4) . .
C27 Pt1 N2 97.3(4) . .
N2A Pt1 N2 7.7(5) . .
C33 Pt1 N2 78.0(4) . .
N1 Pt1 N2 83.1(3) . .
C21 Pt1 Cl1 88.72(14) . .
C27 Pt1 Cl1 83.77(14) . .
N2A Pt1 Cl1 89.6(3) . .
C33 Pt1 Cl1 172.64(13) . .
N1 Pt1 Cl1 93.61(11) . .
N2 Pt1 Cl1 95.1(3) . .
C10 O1 C6 118.4(5) . .
C16A O2A C20A 121.9(10) . .
C20 O2 C16 116.3(10) . .
C1 N1 C9 120.1(4) . .
C1 N1 Pt1 115.0(3) . .
C9 N1 Pt1 123.5(3) . .
C11A N2A C19A 118.9(12) . .
C11A N2A Pt1 131.3(10) . .
C19A N2A Pt1 108.4(8) . .
C19 N2 C11 119.5(11) . .
C19 N2 Pt1 113.4(8) . .
C11 N2 Pt1 125.1(9) . .
N1 C1 C2 123.5(5) . .
Cl2 C1S Cl3 111.5(11) . .
Cl3A C1SA Cl2A 112.3(9) . .
C3 C2 C1 118.1(5) . .
C2 C3 C4 121.0(5) . .
C5 C4 C9 120.8(5) . .
C5 C4 C3 120.7(5) . .
C9 C4 C3 118.5(5) . .
C6 C5 C4 118.1(5) . .
C5 C6 C7 122.4(5) . .
C5 C6 O1 122.4(5) . .
C7 C6 O1 115.1(4) . .
C8 C7 C6 122.6(5) . .
C7 C8 C9 116.6(4) . .
C7 C8 C34 118.2(4) . .
C9 C8 C34 125.1(4) . .
N1 C9 C4 118.4(4) . .
N1 C9 C8 122.4(4) . .
C4 C9 C8 119.1(5) . .
F1 C10 F2 108.1(6) . .
F1 C10 O1 115.4(6) . .
F2 C10 O1 108.8(5) . .
F1 C10 F3 107.6(6) . .
F2 C10 F3 107.1(6) . .
O1 C10 F3 109.5(6) . .
N2A C11A C12A 124.6(12) . .
N2 C11 C12 119.2(11) . .
C11A C12A C13A 119.0(11) . .
C13 C12 C11 120.5(11) . .
C12A C13A C14A 117.6(11) . .
C12 C13 C14 119.4(10) . .
C15A C14A C19A 120.0 . .
C15A C14A C13A 121.7(7) . .
C19A C14A C13A 118.3(7) . .
C14A C15A C16A 120.0 . .
C15A C16A C17A 120.0 . .
C15A C16A O2A 119.6(7) . .
C17A C16A O2A 120.4(7) . .
C18A C17A C16A 120.0 . .
C17A C18A C19A 120.0 . .
C17A C18A C33 120.3(6) . .
C19A C18A C33 119.3(5) . .
N2A C19A C18A 118.2(8) . .
N2A C19A C14A 121.0(8) . .
C18A C19A C14A 120.0 . .
C15 C14 C19 120.0 . .
C15 C14 C13 123.1(6) . .
C19 C14 C13 116.7(6) . .
C14 C15 C16 120.0 . .
O2 C16 C17 120.9(6) . .
O2 C16 C15 118.4(6) . .
C17 C16 C15 120.0 . .
C16 C17 C18 120.0 . .
C19 C18 C17 120.0 . .
C19 C18 C33 118.6(5) . .
C17 C18 C33 120.5(5) . .
N2 C19 C18 114.9(8) . .
N2 C19 C14 124.4(8) . .
C18 C19 C14 120.0 . .
F5A C20A F4A 127.0(13) . .
F5A C20A F6A 111.3(13) . .
F4A C20A F6A 100.6(11) . .
F4A C20A F5 109.2(11) . .
F6A C20A F5 131.9(12) . .
F5A C20A O2A 104.0(11) . .
F4A C20A O2A 113.2(11) . .
F6A C20A O2A 96.8(10) . .
O2 C20 F4 121.9(12) . .
O2 C20 F5 121.1(11) . .
F4 C20 F5 95.2(10) . .
F5 C20 F4A 106.1(10) . .
O2 C20 F6 119.2(11) . .
F5A C20 F6 69.5(9) . .
F4 C20 F6 100.4(9) . .
F5 C20 F6 92.9(9) . .
C26 C21 C22 116.3(5) . .
C26 C21 Pt1 123.5(4) . .
C22 C21 Pt1 120.0(4) . .
C21 C22 C23 121.3(5) . .
C24 C23 C22 120.2(6) . .
C23 C24 C25 120.1(6) . .
C24 C25 C26 119.5(6) . .
C25 C26 C21 122.5(5) . .
C32A C27 C28A 116.3(11) . .
C28 C27 C32 116.7(11) . .
C28 C27 Pt1 123.8(9) . .
C32A C27 Pt1 126.7(7) . .
C28A C27 Pt1 116.9(9) . .
C32 C27 Pt1 117.9(7) . .
C29A C28A C27 121.9(13) . .
C27 C28 C29 122.4(13) . .
C30A C29A C28A 119.7(13) . .
C30 C29 C28 119.2(13) . .
C29A C30A C31A 120.2(13) . .
C31 C30 C29 119.6(13) . .
C32A C31A C30A 118.0(12) . .
C30 C31 C32 121.6(12) . .
C27 C32A C31A 123.4(12) . .
C31 C32 C27 119.9(11) . .
C34 C33 C35 113.6(4) . 3_756
C34 C33 C18 108.7(5) . .
C35 C33 C18 111.3(6) 3_756 .
C34 C33 C18A 115.1(5) . .
C35 C33 C18A 108.7(6) 3_756 .
C34 C33 Pt1 110.3(3) . .
C35 C33 Pt1 110.3(3) 3_756 .
C18 C33 Pt1 102.1(4) . .
C18A C33 Pt1 97.7(4) . .
C35 C34 C33 119.7(4) . .
C35 C34 C8 121.2(4) . .
C33 C34 C8 119.1(4) . .
C34 C35 C33 126.6(4) . 3_756
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C21 2.038(5) .
Pt1 C27 2.057(5) .
Pt1 N2A 2.131(13) .
Pt1 C33 2.138(4) .
Pt1 N1 2.161(4) .
Pt1 N2 2.206(13) .
Pt1 Cl1 2.4434(12) .
Cl2 C1S 1.65(2) .
Cl2A C1SA 1.772(16) .
Cl3 C1S 1.79(2) .
Cl3A C1SA 1.718(17) .
F1 C10 1.269(8) .
F2 C10 1.315(7) .
F3 C10 1.331(9) .
F4 C20A 1.255(17) .
F4 C20 1.332(16) .
F4A C20A 1.286(17) .
F4A C20 1.457(17) .
F5 F5A 0.577(15) .
F5 C20 1.375(15) .
F5 C20A 1.490(16) .
F5A C20A 1.227(16) .
F5A C20 1.239(16) .
F5A F6 1.584(15) .
F6 F6A 0.588(15) .
F6 C20A 1.103(13) .
F6 C20 1.513(14) .
F6A C20A 1.318(17) .
F6A C20 1.755(17) .
O1 C10 1.328(7) .
O1 C6 1.412(6) .
O2A C16A 1.397(12) .
O2A C20A 1.524(16) .
O2 C20 1.063(13) .
O2 C16 1.378(10) .
N1 C1 1.333(6) .
N1 C9 1.382(6) .
N2A C11A 1.286(19) .
N2A C19A 1.371(14) .
N2 C19 1.323(14) .
N2 C11 1.361(19) .
C1 C2 1.400(7) .
C2 C3 1.337(7) .
C3 C4 1.430(7) .
C4 C5 1.405(7) .
C4 C9 1.426(7) .
C5 C6 1.346(7) .
C6 C7 1.383(7) .
C7 C8 1.379(7) .
C8 C9 1.438(7) .
C8 C34 1.492(7) .
C11A C12A 1.380(18) .
C11 C12 1.434(17) .
C12A C13A 1.380(15) .
C12 C13 1.353(15) .
C13A C14A 1.436(13) .
C13 C14 1.425(12) .
C14A C15A 1.3900 .
C14A C19A 1.3900 .
C15A C16A 1.3900 .
C16A C17A 1.3900 .
C17A C18A 1.3900 .
C18A C19A 1.3900 .
C18A C33 1.594(7) .
C14 C15 1.3900 .
C14 C19 1.3900 .
C15 C16 1.3900 .
C16 C17 1.3900 .
C17 C18 1.3900 .
C18 C19 1.3900 .
C18 C33 1.559(7) .
C21 C26 1.390(7) .
C21 C22 1.390(7) .
C22 C23 1.400(8) .
C23 C24 1.356(9) .
C24 C25 1.375(9) .
C25 C26 1.379(8) .
C27 C28 1.32(2) .
C27 C32A 1.337(16) .
C27 C28A 1.45(2) .
C27 C32 1.473(16) .
C28A C29A 1.37(3) .
C28 C29 1.45(3) .
C29A C30A 1.354(17) .
C29 C30 1.395(16) .
C30A C31A 1.430(17) .
C30 C31 1.341(18) .
C31A C32A 1.39(2) .
C31 C32 1.40(2) .
C33 C34 1.480(7) .
C33 C35 1.486(7) 3_756
C34 C35 1.352(7) .
C35 C33 1.486(7) 3_756
