#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:30:50 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179249 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/69/4316903.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_4316903
loop_
_publ_author_name
'Sayandev Chatterjee'
'Jeanette A. Krause'
'Allen G. Oliver'
'William B. Connick'
_publ_contact_author_address
;     Department of Chemistry
      University of Cincinnati
      Cincinnati, OH 45221
;
_publ_contact_author_email       bill.connick@uc.edu
_publ_contact_author_fax         '513 556 9239'
_publ_contact_author_name        'Dr. William B. Connick'
_publ_contact_author_phone       '513 556 0148 '
_publ_section_title
;
 Intramolecular NH...Pt Interactions of Platinum(II) Diimine Complexes
 with Phenyl Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9798
_journal_page_last               9808
_journal_paper_doi               10.1021/ic1007582
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C36 H40 N4 F6 Pt, 2(P F6), H2 O'
_chemical_formula_sum            'C36 H42 F18 N4 O P2 Pt'
_chemical_formula_weight         1145.77
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 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                 120.459(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.3160(10)
_cell_length_b                   17.1154(10)
_cell_length_c                   13.3214(6)
_cell_measurement_reflns_used    9421
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      29.59
_cell_measurement_theta_min      3.66
_cell_volume                     4189.3(4)
_computing_cell_refinement       'Bruker SAINT v7.34A'
_computing_data_collection       'Bruker APEX2 v2.1-4'
_computing_data_reduction        'Bruker SAINT v7.34A'
_computing_molecular_graphics    'Bruker SHELXTL v6.14'
_computing_publication_material  'Bruker SHELXTL v6.14'
_computing_structure_refinement  'Bruker SHELXTL v6.14'
_computing_structure_solution    'Bruker SHELXTL v6.14'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 0.78
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  'Si-<111> channel cut crystal'
_diffrn_radiation_source         synchrotron
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.77490
_diffrn_reflns_av_R_equivalents  0.0714
_diffrn_reflns_av_sigmaI/netI    0.0938
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            23246
_diffrn_reflns_theta_full        29.78
_diffrn_reflns_theta_max         29.78
_diffrn_reflns_theta_min         3.66
_exptl_absorpt_coefficient_mu    4.391
_exptl_absorpt_correction_T_max  0.8796
_exptl_absorpt_correction_T_min  0.7202
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v2008/1 (Sheldrick)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.817
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2256
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.635
_refine_diff_density_min         -0.514
_refine_diff_density_rms         0.109
_refine_ls_abs_structure_details
'Flack H D (1983), Acta Cryst. A39, 876-881, 4542 Friedel pairs'
_refine_ls_abs_structure_Flack   0.027(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.967
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     560
_refine_ls_number_reflns         9155
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.966
_refine_ls_R_factor_all          0.0460
_refine_ls_R_factor_gt           0.0413
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0013P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0954
_refine_ls_wR_factor_ref         0.0983
_reflns_number_gt                8006
_reflns_number_total             9155
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic1007582_si_001_6.cif
_cod_data_source_block           5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4316903
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, 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
Pt Pt 0.54059(5) 0.246039(9) 0.49351(6) 0.02461(7) Uani 1 1 d . . .
N1 N 0.4754(5) 0.2333(4) 0.3124(7) 0.0263(15) Uani 1 1 d . . .
N2 N 0.5794(3) 0.1414(3) 0.4629(4) 0.0293(11) Uani 1 1 d . . .
N3 N 0.6162(3) 0.4114(3) 0.4840(4) 0.0297(11) Uani 1 1 d . . .
H3 H 0.5987 0.3655 0.4666 0.036 Uiso 1 1 d . . .
N4 N 0.4651(3) 0.2127(3) 0.7523(5) 0.0298(12) Uani 1 1 d . . .
H4 H 0.4872 0.1910 0.8245 0.036 Uiso 1 1 d . . .
C1 C 0.4191(4) 0.2808(4) 0.2411(5) 0.0285(12) Uani 1 1 d . . .
H1A H 0.4128 0.3288 0.2707 0.034 Uiso 1 1 calc R . .
C2 C 0.3710(5) 0.2612(4) 0.1266(8) 0.0351(19) Uani 1 1 d . . .
C3 C 0.3796(4) 0.1929(5) 0.0821(7) 0.0419(17) Uani 1 1 d . . .
H3A H 0.3465 0.1789 0.0035 0.050 Uiso 1 1 calc R . .
C4 C 0.4370(4) 0.1447(4) 0.1531(6) 0.0401(15) Uani 1 1 d . . .
H4A H 0.4442 0.0969 0.1241 0.048 Uiso 1 1 calc R . .
C5 C 0.4835(3) 0.1668(3) 0.2665(5) 0.0305(12) Uani 1 1 d . . .
C8 C 0.5671(5) 0.0507(4) 0.3181(7) 0.0486(18) Uani 1 1 d . . .
H8A H 0.5435 0.0353 0.2387 0.058 Uiso 1 1 calc R . .
C9 C 0.5458(4) 0.1167(3) 0.3511(6) 0.0326(13) Uani 1 1 d . . .
C10 C 0.6238(4) 0.0071(4) 0.4030(7) 0.0486(18) Uani 1 1 d . . .
H10A H 0.6410 -0.0375 0.3817 0.058 Uiso 1 1 calc R . .
C11 C 0.6547(4) 0.0276(4) 0.5156(8) 0.0475(18) Uani 1 1 d . . .
C12 C 0.6332(4) 0.0974(4) 0.5447(6) 0.0368(15) Uani 1 1 d . . .
H12A H 0.6571 0.1139 0.6237 0.044 Uiso 1 1 calc R . .
C13 C 0.4904(3) 0.3428(3) 0.5060(5) 0.0265(12) Uani 1 1 d . . .
C14 C 0.4171(3) 0.3361(4) 0.4700(5) 0.0312(13) Uani 1 1 d . . .
H14A H 0.3945 0.2866 0.4440 0.037 Uiso 1 1 calc R . .
C15 C 0.3745(4) 0.3985(5) 0.4698(7) 0.0443(19) Uani 1 1 d . . .
H15A H 0.3247 0.3911 0.4461 0.053 Uiso 1 1 calc R . .
C16 C 0.4066(5) 0.4706(5) 0.5049(8) 0.054(2) Uani 1 1 d . . .
H16A H 0.3784 0.5138 0.5043 0.065 Uiso 1 1 calc R . .
C17 C 0.4796(4) 0.4812(4) 0.5412(6) 0.0423(17) Uani 1 1 d . . .
H17A H 0.5012 0.5313 0.5656 0.051 Uiso 1 1 calc R . .
C18 C 0.5219(3) 0.4172(3) 0.5419(5) 0.0302(12) Uani 1 1 d . . .
C19 C 0.6001(3) 0.4337(3) 0.5780(5) 0.0294(12) Uani 1 1 d . . .
H19A H 0.6102 0.4900 0.5956 0.035 Uiso 1 1 calc R . .
H19B H 0.6326 0.4041 0.6498 0.035 Uiso 1 1 calc R . .
C20 C 0.5676(4) 0.4522(4) 0.3696(6) 0.0370(15) Uani 1 1 d . . .
H20A H 0.5712 0.4254 0.3068 0.044 Uiso 1 1 calc R . .
H20B H 0.5164 0.4490 0.3509 0.044 Uiso 1 1 calc R . .
C21 C 0.5886(6) 0.5368(4) 0.3741(8) 0.062(2) Uani 1 1 d . . .
H21A H 0.5774 0.5655 0.4277 0.074 Uiso 1 1 calc R . .
H21B H 0.5593 0.5601 0.2956 0.074 Uiso 1 1 calc R . .
C22 C 0.6694(5) 0.5460(4) 0.4153(7) 0.063(2) Uani 1 1 d . . .
H22A H 0.6791 0.5239 0.3558 0.075 Uiso 1 1 calc R . .
H22B H 0.6818 0.6022 0.4236 0.075 Uiso 1 1 calc R . .
C23 C 0.7172(5) 0.5053(5) 0.5303(7) 0.056(2) Uani 1 1 d . . .
H23A H 0.7124 0.5316 0.5923 0.067 Uiso 1 1 calc R . .
H23B H 0.7687 0.5088 0.5508 0.067 Uiso 1 1 calc R . .
C24 C 0.6955(4) 0.4204(4) 0.5226(6) 0.0363(16) Uani 1 1 d . . .
H24A H 0.7056 0.3930 0.4669 0.044 Uiso 1 1 calc R . .
H24B H 0.7253 0.3956 0.5999 0.044 Uiso 1 1 calc R . .
C25 C 0.6055(7) 0.2420(3) 0.6699(12) 0.030(2) Uani 1 1 d . . .
C26 C 0.6784(4) 0.2616(4) 0.7203(7) 0.0329(15) Uani 1 1 d . . .
H26A H 0.6960 0.2789 0.6714 0.039 Uiso 1 1 calc R . .
C27 C 0.7271(5) 0.2569(4) 0.8404(10) 0.038(2) Uani 1 1 d . . .
H27A H 0.7764 0.2726 0.8730 0.046 Uiso 1 1 calc R . .
C28 C 0.7010(4) 0.2284(4) 0.9112(7) 0.0415(17) Uani 1 1 d . . .
H28A H 0.7324 0.2250 0.9932 0.050 Uiso 1 1 calc R . .
C29 C 0.6299(3) 0.2056(4) 0.8612(5) 0.0339(13) Uani 1 1 d . . .
H29A H 0.6131 0.1845 0.9094 0.041 Uiso 1 1 calc R . .
C30 C 0.5813(3) 0.2123(3) 0.7421(5) 0.0283(12) Uani 1 1 d . . .
C31 C 0.5039(3) 0.1839(3) 0.6915(5) 0.0289(12) Uani 1 1 d . . .
H31A H 0.4756 0.2003 0.6089 0.035 Uiso 1 1 calc R . .
H31B H 0.5042 0.1261 0.6931 0.035 Uiso 1 1 calc R . .
C32 C 0.4698(5) 0.2992(5) 0.7673(8) 0.046(2) Uani 1 1 d . . .
H32A H 0.4508 0.3246 0.6905 0.055 Uiso 1 1 calc R . .
H32B H 0.5214 0.3147 0.8172 0.055 Uiso 1 1 calc R . .
C33 C 0.4265(4) 0.3270(5) 0.8226(6) 0.053(2) Uani 1 1 d . . .
H33A H 0.4495 0.3071 0.9033 0.063 Uiso 1 1 calc R . .
H33B H 0.4275 0.3848 0.8260 0.063 Uiso 1 1 calc R . .
C34 C 0.3485(4) 0.2998(5) 0.7552(7) 0.052(2) Uani 1 1 d . . .
H34A H 0.3239 0.3242 0.6771 0.062 Uiso 1 1 calc R . .
H34B H 0.3229 0.3165 0.7961 0.062 Uiso 1 1 calc R . .
C35 C 0.3443(5) 0.2111(5) 0.7423(8) 0.0506(19) Uani 1 1 d . . .
H35A H 0.3640 0.1865 0.8198 0.061 Uiso 1 1 calc R . .
H35B H 0.2929 0.1949 0.6932 0.061 Uiso 1 1 calc R . .
C36 C 0.3875(3) 0.1838(4) 0.6869(6) 0.0378(14) Uani 1 1 d . . .
H36A H 0.3875 0.1260 0.6848 0.045 Uiso 1 1 calc R . .
H36B H 0.3637 0.2029 0.6056 0.045 Uiso 1 1 calc R . .
C37 C 0.3087(4) 0.3146(5) 0.0537(6) 0.0488(18) Uani 1 1 d . . .
C38 C 0.7129(4) -0.0208(5) 0.6111(9) 0.064(3) Uani 1 1 d . . .
F1 F 0.3058(4) 0.3394(5) -0.0390(5) 0.119(3) Uani 1 1 d . . .
F2 F 0.3113(4) 0.3806(4) 0.1077(5) 0.123(3) Uani 1 1 d . . .
F3 F 0.2457(3) 0.2828(4) 0.0223(7) 0.105(2) Uani 1 1 d . . .
F4 F 0.7484(4) 0.0144(3) 0.7106(5) 0.102(2) Uani 1 1 d . . .
F5 F 0.7654(4) -0.0386(4) 0.5848(7) 0.103(2) Uani 1 1 d . . .
F6 F 0.6899(3) -0.0887(3) 0.6206(6) 0.102(2) Uani 1 1 d . . .
P1 P 0.61296(12) 0.28877(13) 0.18519(19) 0.0387(5) Uani 1 1 d . . .
F7 F 0.5904(4) 0.1978(3) 0.1734(5) 0.0723(18) Uani 1 1 d . . .
F8 F 0.6208(3) 0.2883(3) 0.3104(4) 0.0569(11) Uani 1 1 d . . .
F9 F 0.5291(3) 0.3103(4) 0.1343(5) 0.0775(16) Uani 1 1 d . . .
F10 F 0.6310(3) 0.3796(2) 0.1947(5) 0.0717(14) Uani 1 1 d . . .
F11 F 0.6937(4) 0.2662(4) 0.2352(9) 0.098(3) Uani 1 1 d . . .
F12 F 0.6007(4) 0.2872(4) 0.0569(5) 0.096(2) Uani 1 1 d . . .
P2 P 0.37666(11) 0.03766(10) 0.39891(17) 0.0398(4) Uani 1 1 d . . .
F13 F 0.4604(3) 0.0244(4) 0.4929(6) 0.097(2) Uani 1 1 d . . .
F14 F 0.3634(4) -0.0521(3) 0.4069(5) 0.095(2) Uani 1 1 d . . .
F15 F 0.2938(3) 0.0492(3) 0.3076(5) 0.0840(17) Uani 1 1 d . . .
F16 F 0.3943(3) 0.0164(4) 0.2999(5) 0.098(2) Uani 1 1 d . . .
F17 F 0.3944(4) 0.1259(3) 0.3953(6) 0.095(2) Uani 1 1 d . . .
F18 F 0.3618(4) 0.0563(5) 0.4995(5) 0.103(2) Uani 1 1 d . . .
O1W O 0.5197(3) 0.1215(3) 0.9524(4) 0.0518(13) Uani 1 1 d . . .
H1W H 0.5497 0.1447 1.0210 0.078 Uiso 1 1 d . . .
H2W H 0.4978 0.0775 0.9586 0.078 Uiso 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 -0.0020 0.0020 '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 -0.0031 0.0040 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F -0.0053 0.0125 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -2.9671 9.6560 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1013 0.1134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O -0.0041 0.0074 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C13 Pt C25 90.7(3) . . ?
C13 Pt N1 96.3(3) . . ?
C25 Pt N1 172.04(19) . . ?
C13 Pt N2 172.6(2) . . ?
C25 Pt N2 95.2(3) . . ?
N1 Pt N2 77.6(2) . . ?
C5 N1 C1 117.4(7) . . ?
C5 N1 Pt 116.6(5) . . ?
C1 N1 Pt 125.3(6) . . ?
C12 N2 C9 118.4(5) . . ?
C12 N2 Pt 125.4(4) . . ?
C9 N2 Pt 116.1(4) . . ?
C19 N3 C24 112.3(5) . . ?
C19 N3 C20 113.2(5) . . ?
C24 N3 C20 111.9(5) . . ?
C32 N4 C31 112.3(5) . . ?
C32 N4 C36 112.5(5) . . ?
C31 N4 C36 108.8(5) . . ?
N1 C1 C2 121.7(7) . . ?
C3 C2 C1 120.1(8) . . ?
C3 C2 C37 120.8(8) . . ?
C1 C2 C37 119.1(6) . . ?
C2 C3 C4 118.8(7) . . ?
C5 C4 C3 119.0(6) . . ?
N1 C5 C4 123.0(6) . . ?
N1 C5 C9 114.3(6) . . ?
C4 C5 C9 122.6(5) . . ?
C9 C8 C10 118.5(7) . . ?
N2 C9 C8 122.3(6) . . ?
N2 C9 C5 114.9(5) . . ?
C8 C9 C5 122.8(6) . . ?
C11 C10 C8 120.2(6) . . ?
C10 C11 C12 119.1(7) . . ?
C10 C11 C38 122.0(7) . . ?
C12 C11 C38 118.9(8) . . ?
N2 C12 C11 121.2(7) . . ?
C14 C13 C18 116.9(5) . . ?
C14 C13 Pt 117.0(4) . . ?
C18 C13 Pt 126.0(4) . . ?
C13 C14 C15 123.6(6) . . ?
C16 C15 C14 118.3(7) . . ?
C15 C16 C17 120.9(7) . . ?
C16 C17 C18 119.9(7) . . ?
C13 C18 C17 120.4(6) . . ?
C13 C18 C19 122.5(5) . . ?
C17 C18 C19 117.0(5) . . ?
N3 C19 C18 111.6(4) . . ?
C21 C20 N3 111.5(6) . . ?
C20 C21 C22 111.7(6) . . ?
C23 C22 C21 112.0(7) . . ?
C22 C23 C24 110.4(7) . . ?
N3 C24 C23 111.9(6) . . ?
C26 C25 C30 118.0(10) . . ?
C26 C25 Pt 119.4(8) . . ?
C30 C25 Pt 122.3(8) . . ?
C25 C26 C27 122.8(9) . . ?
C26 C27 C28 118.0(8) . . ?
C29 C28 C27 119.4(7) . . ?
C28 C29 C30 122.2(6) . . ?
C29 C30 C25 119.5(7) . . ?
C29 C30 C31 119.7(5) . . ?
C25 C30 C31 120.7(7) . . ?
N4 C31 C30 115.4(5) . . ?
N4 C32 C33 111.1(7) . . ?
C34 C33 C32 111.8(6) . . ?
C33 C34 C35 111.1(6) . . ?
C36 C35 C34 110.2(6) . . ?
N4 C36 C35 112.1(6) . . ?
F1 C37 F3 107.0(7) . . ?
F1 C37 F2 102.2(8) . . ?
F3 C37 F2 106.4(8) . . ?
F1 C37 C2 115.0(7) . . ?
F3 C37 C2 112.5(7) . . ?
F2 C37 C2 113.0(6) . . ?
F6 C38 F4 111.9(10) . . ?
F6 C38 F5 103.1(7) . . ?
F4 C38 F5 103.6(7) . . ?
F6 C38 C11 112.9(7) . . ?
F4 C38 C11 114.5(7) . . ?
F5 C38 C11 109.8(8) . . ?
F11 P1 F8 92.5(4) . . ?
F11 P1 F10 92.2(4) . . ?
F8 P1 F10 91.6(3) . . ?
F11 P1 F12 90.0(5) . . ?
F8 P1 F12 176.8(4) . . ?
F10 P1 F12 90.2(3) . . ?
F11 P1 F9 178.8(4) . . ?
F8 P1 F9 87.0(3) . . ?
F10 P1 F9 88.9(3) . . ?
F12 P1 F9 90.5(4) . . ?
F11 P1 F7 90.8(4) . . ?
F8 P1 F7 88.0(3) . . ?
F10 P1 F7 177.0(3) . . ?
F12 P1 F7 90.0(3) . . ?
F9 P1 F7 88.1(3) . . ?
F18 P2 F17 89.3(4) . . ?
F18 P2 F15 90.1(4) . . ?
F17 P2 F15 92.9(3) . . ?
F18 P2 F14 91.1(4) . . ?
F17 P2 F14 176.9(4) . . ?
F15 P2 F14 90.2(3) . . ?
F18 P2 F16 177.7(4) . . ?
F17 P2 F16 91.8(4) . . ?
F15 P2 F16 91.8(3) . . ?
F14 P2 F16 87.7(4) . . ?
F18 P2 F13 89.4(4) . . ?
F17 P2 F13 88.3(4) . . ?
F15 P2 F13 178.7(4) . . ?
F14 P2 F13 88.6(4) . . ?
F16 P2 F13 88.7(4) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt C13 2.024(5) . ?
Pt C25 2.036(13) . ?
Pt N1 2.097(9) . ?
Pt N2 2.097(5) . ?
N1 C5 1.345(9) . ?
N1 C1 1.359(10) . ?
N2 C12 1.343(8) . ?
N2 C9 1.353(8) . ?
N3 C19 1.505(7) . ?
N3 C24 1.505(8) . ?
N3 C20 1.511(8) . ?
N4 C32 1.491(12) . ?
N4 C31 1.503(8) . ?
N4 C36 1.509(8) . ?
C1 C2 1.380(11) . ?
C2 C3 1.363(10) . ?
C2 C37 1.495(11) . ?
C3 C4 1.378(10) . ?
C4 C5 1.375(8) . ?
C5 C9 1.500(9) . ?
C8 C9 1.370(9) . ?
C8 C10 1.382(11) . ?
C10 C11 1.344(11) . ?
C11 C12 1.403(9) . ?
C11 C38 1.498(11) . ?
C13 C14 1.387(8) . ?
C13 C18 1.405(8) . ?
C14 C15 1.400(9) . ?
C15 C16 1.372(11) . ?
C16 C17 1.388(12) . ?
C17 C18 1.415(9) . ?
C18 C19 1.509(8) . ?
C20 C21 1.507(10) . ?
C21 C22 1.528(13) . ?
C22 C23 1.512(11) . ?
C23 C24 1.513(10) . ?
C25 C26 1.384(15) . ?
C25 C30 1.399(13) . ?
C26 C27 1.400(13) . ?
C27 C28 1.405(13) . ?
C28 C29 1.368(10) . ?
C29 C30 1.392(8) . ?
C30 C31 1.512(8) . ?
C32 C33 1.521(11) . ?
C33 C34 1.507(11) . ?
C34 C35 1.525(14) . ?
C35 C36 1.516(9) . ?
C37 F1 1.277(9) . ?
C37 F3 1.306(9) . ?
C37 F2 1.325(9) . ?
C38 F6 1.292(10) . ?
C38 F4 1.294(11) . ?
C38 F5 1.367(11) . ?
P1 F11 1.546(7) . ?
P1 F8 1.590(5) . ?
P1 F10 1.590(5) . ?
P1 F12 1.593(5) . ?
P1 F9 1.600(6) . ?
P1 F7 1.614(6) . ?
P2 F18 1.559(6) . ?
P2 F17 1.564(5) . ?
P2 F15 1.569(5) . ?
P2 F14 1.575(5) . ?
P2 F16 1.586(5) . ?
P2 F13 1.594(6) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C13 Pt N1 C5 -170.6(6) . . . . ?
C25 Pt N1 C5 -20(5) . . . . ?
N2 Pt N1 C5 5.3(6) . . . . ?
C13 Pt N1 C1 -0.5(7) . . . . ?
C25 Pt N1 C1 150(4) . . . . ?
N2 Pt N1 C1 175.3(7) . . . . ?
C13 Pt N2 C12 -146.1(16) . . . . ?
C25 Pt N2 C12 -3.5(6) . . . . ?
N1 Pt N2 C12 179.8(5) . . . . ?
C13 Pt N2 C9 33(2) . . . . ?
C25 Pt N2 C9 175.3(5) . . . . ?
N1 Pt N2 C9 -1.3(4) . . . . ?
C5 N1 C1 C2 1.5(11) . . . . ?
Pt N1 C1 C2 -168.5(6) . . . . ?
N1 C1 C2 C3 -0.5(13) . . . . ?
N1 C1 C2 C37 177.9(8) . . . . ?
C1 C2 C3 C4 -0.3(13) . . . . ?
C37 C2 C3 C4 -178.7(8) . . . . ?
C2 C3 C4 C5 0.2(11) . . . . ?
C1 N1 C5 C4 -1.5(11) . . . . ?
Pt N1 C5 C4 169.3(5) . . . . ?
C1 N1 C5 C9 -178.8(6) . . . . ?
Pt N1 C5 C9 -8.0(8) . . . . ?
C3 C4 C5 N1 0.7(10) . . . . ?
C3 C4 C5 C9 177.8(6) . . . . ?
C12 N2 C9 C8 -3.3(9) . . . . ?
Pt N2 C9 C8 177.8(5) . . . . ?
C12 N2 C9 C5 176.6(5) . . . . ?
Pt N2 C9 C5 -2.4(6) . . . . ?
C10 C8 C9 N2 1.7(11) . . . . ?
C10 C8 C9 C5 -178.1(6) . . . . ?
N1 C5 C9 N2 6.8(8) . . . . ?
C4 C5 C9 N2 -170.5(6) . . . . ?
N1 C5 C9 C8 -173.4(7) . . . . ?
C4 C5 C9 C8 9.3(10) . . . . ?
C9 C8 C10 C11 2.9(12) . . . . ?
C8 C10 C11 C12 -5.7(12) . . . . ?
C8 C10 C11 C38 175.9(8) . . . . ?
C9 N2 C12 C11 0.4(9) . . . . ?
Pt N2 C12 C11 179.2(5) . . . . ?
C10 C11 C12 N2 4.1(10) . . . . ?
C38 C11 C12 N2 -177.4(7) . . . . ?
C25 Pt C13 C14 -115.1(5) . . . . ?
N1 Pt C13 C14 61.0(5) . . . . ?
N2 Pt C13 C14 28(2) . . . . ?
C25 Pt C13 C18 68.4(6) . . . . ?
N1 Pt C13 C18 -115.4(5) . . . . ?
N2 Pt C13 C18 -148.8(16) . . . . ?
C18 C13 C14 C15 -1.1(9) . . . . ?
Pt C13 C14 C15 -177.9(5) . . . . ?
C13 C14 C15 C16 1.4(11) . . . . ?
C14 C15 C16 C17 -1.0(12) . . . . ?
C15 C16 C17 C18 0.3(12) . . . . ?
C14 C13 C18 C17 0.4(9) . . . . ?
Pt C13 C18 C17 176.8(5) . . . . ?
C14 C13 C18 C19 -177.1(5) . . . . ?
Pt C13 C18 C19 -0.7(8) . . . . ?
C16 C17 C18 C13 0.0(10) . . . . ?
C16 C17 C18 C19 177.7(7) . . . . ?
C24 N3 C19 C18 -174.7(5) . . . . ?
C20 N3 C19 C18 57.5(6) . . . . ?
C13 C18 C19 N3 55.8(7) . . . . ?
C17 C18 C19 N3 -121.8(6) . . . . ?
C19 N3 C20 C21 74.2(7) . . . . ?
C24 N3 C20 C21 -53.9(7) . . . . ?
N3 C20 C21 C22 52.9(8) . . . . ?
C20 C21 C22 C23 -54.0(9) . . . . ?
C21 C22 C23 C24 54.6(9) . . . . ?
C19 N3 C24 C23 -73.0(7) . . . . ?
C20 N3 C24 C23 55.6(7) . . . . ?
C22 C23 C24 N3 -55.5(9) . . . . ?
C13 Pt C25 C26 -107.8(6) . . . . ?
N1 Pt C25 C26 101(4) . . . . ?
N2 Pt C25 C26 76.7(5) . . . . ?
C13 Pt C25 C30 79.1(6) . . . . ?
N1 Pt C25 C30 -72(4) . . . . ?
N2 Pt C25 C30 -96.5(6) . . . . ?
C30 C25 C26 C27 -3.7(10) . . . . ?
Pt C25 C26 C27 -177.1(5) . . . . ?
C25 C26 C27 C28 2.4(10) . . . . ?
C26 C27 C28 C29 0.7(10) . . . . ?
C27 C28 C29 C30 -2.4(11) . . . . ?
C28 C29 C30 C25 1.1(10) . . . . ?
C28 C29 C30 C31 178.3(6) . . . . ?
C26 C25 C30 C29 1.9(10) . . . . ?
Pt C25 C30 C29 175.1(5) . . . . ?
C26 C25 C30 C31 -175.3(6) . . . . ?
Pt C25 C30 C31 -2.0(9) . . . . ?
C32 N4 C31 C30 51.1(7) . . . . ?
C36 N4 C31 C30 176.2(5) . . . . ?
C29 C30 C31 N4 50.0(8) . . . . ?
C25 C30 C31 N4 -132.9(6) . . . . ?
C31 N4 C32 C33 176.7(6) . . . . ?
C36 N4 C32 C33 53.5(7) . . . . ?
N4 C32 C33 C34 -54.7(8) . . . . ?
C32 C33 C34 C35 56.0(9) . . . . ?
C33 C34 C35 C36 -55.4(8) . . . . ?
C32 N4 C36 C35 -54.4(7) . . . . ?
C31 N4 C36 C35 -179.4(6) . . . . ?
C34 C35 C36 N4 54.4(8) . . . . ?
C3 C2 C37 F1 -59.0(12) . . . . ?
C1 C2 C37 F1 122.6(9) . . . . ?
C3 C2 C37 F3 63.8(11) . . . . ?
C1 C2 C37 F3 -114.7(9) . . . . ?
C3 C2 C37 F2 -175.8(9) . . . . ?
C1 C2 C37 F2 5.8(12) . . . . ?
C10 C11 C38 F6 -65.3(12) . . . . ?
C12 C11 C38 F6 116.3(9) . . . . ?
C10 C11 C38 F4 165.1(9) . . . . ?
C12 C11 C38 F4 -13.2(12) . . . . ?
C10 C11 C38 F5 49.1(10) . . . . ?
C12 C11 C38 F5 -129.3(8) . . . . ?
