#------------------------------------------------------------------------------
#$Date: 2016-03-24 00:09:19 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179525 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/22/4342208.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_4342208
loop_
_publ_author_name
'Allampally, Naveen Kumar'
'Daniliuc, Constantin-Gabriel'
'Strassert, Cristian A.'
'De Cola, Luisa'
_publ_section_title
;
 Tuning the Structural and Photophysical Properties of Cationic Pt(II)
 Complexes Bearing Neutral Bis(triazolyl)pyridine Ligands.
;
_journal_issue                   4
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1588
_journal_page_last               1596
_journal_paper_doi               10.1021/ic5025636
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C35 H49 Cl5 F6 N7 O P Pt'
_chemical_formula_weight         1101.12
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 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                 102.4570(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.3619(2)
_cell_length_b                   6.88950(10)
_cell_length_c                   18.4882(3)
_cell_measurement_reflns_used    5215
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.88
_cell_measurement_theta_min      4.08
_cell_volume                     2159.40(5)
_computing_cell_refinement       'Collect (Nonius B.V., 1998)'
_computing_data_collection       'Collect (Nonius B.V., 1998)'
_computing_data_reduction        'Denzo-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'XP (BrukerAXS, 2000)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Nonius KappaCCD APEXII'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'Montel mirror'
_diffrn_radiation_source         'rotating anode Nonius FR591'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.033
_diffrn_reflns_av_sigmaI/netI    0.0216
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            13947
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         4.42
_exptl_absorpt_coefficient_mu    3.660
_exptl_absorpt_correction_T_max  0.7837
_exptl_absorpt_correction_T_min  0.3223
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Denzo (Otwinowski, Borek, Majewski & Minor, 2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.693
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1096
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.347
_refine_diff_density_min         -0.788
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         4082
_refine_ls_number_restraints     83
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0276
_refine_ls_R_factor_gt           0.0266
_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)+(0.0307P)²+5.3614P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0680
_refine_ls_wR_factor_ref         0.0690
_reflns_number_gt                3977
_reflns_number_total             4082
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5025636_si_004.cif
_cod_data_source_block           fro6008
_cod_depositor_comments
'Adding full bibliography for 4342206--4342209.cif.'
_cod_original_sg_symbol_H-M      P21/m
_cod_database_code               4342208
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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
Pt1 Pt 0.256277(11) 0.7500 0.151029(10) 0.02755(8) Uani 1 2 d S
Cl1 Cl 0.38370(8) 0.7500 0.21574(8) 0.0455(3) Uani 1 2 d S
N1 N 0.1460(2) 0.7500 0.0950(2) 0.0280(9) Uani 1 2 d S
C2A C 0.0874(3) 0.7500 0.1330(3) 0.0296(10) Uani 1 2 d S
C2B C 0.1314(3) 0.7500 0.0203(3) 0.0290(10) Uani 1 2 d S
C3A C 0.0099(3) 0.7500 0.0951(3) 0.0356(12) Uani 1 2 d S
H3A H -0.0314 0.7500 0.1207 0.043 Uiso 1 2 calc SR
C3B C 0.0547(3) 0.7500 -0.0200(3) 0.0359(12) Uani 1 2 d S
H3B H 0.0435 0.7500 -0.0720 0.043 Uiso 1 2 calc SR
C4 C -0.0057(3) 0.7500 0.0186(3) 0.0390(13) Uani 1 2 d S
H4 H -0.0584 0.7500 -0.0080 0.047 Uiso 1 2 calc SR
C5A C 0.1196(3) 0.7500 0.2128(3) 0.0318(11) Uani 1 2 d S
N6A N 0.2007(3) 0.7500 0.2346(2) 0.0315(9) Uani 1 2 d S
N7A N 0.2237(3) 0.7500 0.3071(2) 0.0353(10) Uani 1 2 d S
N8A N 0.1568(3) 0.7500 0.3318(2) 0.0338(10) Uani 1 2 d S
C9A C 0.0921(3) 0.7500 0.2766(3) 0.0346(12) Uani 1 2 d S
H9A H 0.0392 0.7500 0.2811 0.042 Uiso 1 2 calc SR
C10A C 0.1627(3) 0.7500 0.4138(3) 0.0389(13) Uani 1 2 d S
C11A C 0.0816(4) 0.7500 0.4312(3) 0.0489(15) Uani 1 2 d S
H11A H 0.0523 0.6347 0.4097 0.059 Uiso 0.50 1 calc PR
H11B H 0.0523 0.8653 0.4097 0.059 Uiso 0.50 1 calc PR
C12A C 0.0904(4) 0.7500 0.5161(3) 0.0569(18) Uani 1 2 d S
H12A H 0.0372 0.7500 0.5274 0.068 Uiso 1 2 calc SR
C13A C 0.1324(4) 0.5689(12) 0.5466(3) 0.093(2) Uani 1 1 d U
H13A H 0.1023 0.4550 0.5248 0.111 Uiso 1 1 calc R
H13B H 0.1374 0.5643 0.6004 0.111 Uiso 1 1 calc R
C14A C 0.2129(5) 0.5672(18) 0.5285(4) 0.133(4) Uani 1 1 d U
H14A H 0.2426 0.4512 0.5507 0.159 Uiso 1 1 calc R
C15A C 0.2063(4) 0.5676(12) 0.4450(3) 0.092(2) Uani 1 1 d U
H15A H 0.2590 0.5658 0.4338 0.111 Uiso 1 1 calc R
H15B H 0.1775 0.4524 0.4227 0.111 Uiso 1 1 calc R
C16A C 0.2565(7) 0.7500 0.5598(5) 0.166(8) Uani 1 2 d SU
H16A H 0.3091 0.7500 0.5484 0.199 Uiso 1 2 calc SR
H16B H 0.2633 0.7500 0.6138 0.199 Uiso 1 2 calc SR
C5B C 0.2055(3) 0.7500 -0.0055(3) 0.0303(11) Uani 1 2 d S
N6B N 0.2734(2) 0.7500 0.0477(2) 0.0294(9) Uani 1 2 d S
N7B N 0.3360(3) 0.7500 0.0192(2) 0.0319(9) Uani 1 2 d S
N8B N 0.3075(2) 0.7500 -0.0550(2) 0.0300(9) Uani 1 2 d S
C9B C 0.2278(3) 0.7500 -0.0724(3) 0.0314(11) Uani 1 2 d S
H9B H 0.1948 0.7500 -0.1200 0.038 Uiso 1 2 calc SR
C10B C 0.3657(3) 0.7500 -0.1037(3) 0.0310(11) Uani 1 2 d S
C11B C 0.3234(3) 0.7500 -0.1841(3) 0.0501(16) Uani 1 2 d S
H11C H 0.2899 0.8654 -0.1950 0.060 Uiso 0.50 1 calc PR
H11D H 0.2899 0.6346 -0.1950 0.060 Uiso 0.50 1 calc PR
C12B C 0.3865(4) 0.7500 -0.2322(3) 0.066(2) Uani 1 2 d S
H12B H 0.3599 0.7500 -0.2852 0.079 Uiso 1 2 calc SR
C13B C 0.4376(3) 0.5669(10) -0.2147(3) 0.0730(17) Uani 1 1 d .
H13C H 0.4044 0.4509 -0.2251 0.088 Uiso 1 1 calc R
H13D H 0.4766 0.5631 -0.2459 0.088 Uiso 1 1 calc R
C14B C 0.4787(3) 0.5703(9) -0.1344(3) 0.0644(14) Uani 1 1 d .
H14B H 0.5128 0.4541 -0.1231 0.077 Uiso 1 1 calc R
C15B C 0.4168(3) 0.5690(7) -0.0858(3) 0.0523(11) Uani 1 1 d .
H15C H 0.3840 0.4522 -0.0959 0.063 Uiso 1 1 calc R
H15D H 0.4432 0.5686 -0.0333 0.063 Uiso 1 1 calc R
C16B C 0.5287(4) 0.7500 -0.1182(4) 0.074(3) Uani 1 2 d S
H16C H 0.5685 0.7500 -0.1485 0.089 Uiso 1 2 calc SR
H16D H 0.5561 0.7500 -0.0660 0.089 Uiso 1 2 calc SR
P1 P 0.02967(9) 0.7500 0.74252(8) 0.0391(3) Uani 1 2 d S
F1 F 0.02741(18) 0.5856(5) 0.68214(15) 0.0677(8) Uani 1 1 d .
F2 F 0.0338(2) 0.9130(4) 0.80405(16) 0.0790(10) Uani 1 1 d .
F3 F 0.1235(2) 0.7500 0.7567(3) 0.0703(12) Uani 1 2 d S
F4 F -0.0629(3) 0.7500 0.7265(3) 0.0938(17) Uani 1 2 d S
C101 C 0.2614(4) 0.2500 0.1309(4) 0.0531(16) Uani 1 2 d S
H10A H 0.2924 0.1350 0.1500 0.064 Uiso 0.50 1 calc PR
H10B H 0.2924 0.3650 0.1500 0.064 Uiso 0.50 1 calc PR
Cl11 Cl 0.17336(11) 0.2500 0.16282(13) 0.0680(5) Uani 1 2 d S
Cl12 Cl 0.24344(13) 0.2500 0.03380(12) 0.0692(5) Uani 1 2 d S
C201 C 0.1683(4) 0.2500 0.7494(4) 0.0639(19) Uani 1 2 d S
H20A H 0.1357 0.1350 0.7338 0.077 Uiso 0.50 1 calc PR
H20B H 0.1357 0.3650 0.7338 0.077 Uiso 0.50 1 calc PR
Cl21 Cl 0.24772(12) 0.2500 0.70554(11) 0.0716(5) Uani 1 2 d S
Cl22 Cl 0.19905(13) 0.2500 0.84669(11) 0.0713(5) Uani 1 2 d S
C301 C 0.3468(9) 0.2500 0.3321(7) 0.148(5) Uani 1 2 d SDU
H30A H 0.3373 0.1186 0.3135 0.223 Uiso 0.50 1 calc PR
H30B H 0.3599 0.3321 0.2939 0.223 Uiso 0.50 1 calc PR
H30C H 0.2997 0.2993 0.3461 0.223 Uiso 0.50 1 calc PR
C302 C 0.4130(8) 0.2500 0.3976(7) 0.173(5) Uani 1 2 d SDU
H30D H 0.4457 0.1352 0.3954 0.207 Uiso 0.50 1 calc PR
H30E H 0.4457 0.3648 0.3954 0.207 Uiso 0.50 1 calc PR
O303 O 0.3895(6) 0.2500 0.4656(4) 0.141(3) Uani 1 2 d SDU
C304 C 0.4516(8) 0.2500 0.5285(7) 0.176(5) Uani 1 2 d SDU
H30F H 0.4845 0.3648 0.5268 0.212 Uiso 0.50 1 calc PR
H30G H 0.4845 0.1352 0.5268 0.212 Uiso 0.50 1 calc PR
C305 C 0.4255(9) 0.2500 0.5995(7) 0.144(5) Uani 1 2 d SDU
H30H H 0.3759 0.3194 0.5935 0.216 Uiso 0.50 1 calc PR
H30I H 0.4650 0.3132 0.6372 0.216 Uiso 0.50 1 calc PR
H30J H 0.4184 0.1173 0.6143 0.216 Uiso 0.50 1 calc PR
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'
P P 0.1023 0.0942 '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
N1 Pt1 N6A 80.18(17) . .
N1 Pt1 N6B 79.94(16) . .
N6A Pt1 N6B 160.12(18) . .
N1 Pt1 Cl1 179.97(12) . .
N6A Pt1 Cl1 99.85(13) . .
N6B Pt1 Cl1 100.04(12) . .
C2B N1 C2A 122.3(4) . .
C2B N1 Pt1 119.0(3) . .
C2A N1 Pt1 118.7(3) . .
N1 C2A C3A 119.8(5) . .
N1 C2A C5A 111.0(4) . .
C3A C2A C5A 129.2(5) . .
N1 C2B C3B 119.9(5) . .
N1 C2B C5B 110.4(4) . .
C3B C2B C5B 129.7(5) . .
C2A C3A C4 118.3(5) . .
C2A C3A H3A 120.8 . .
C4 C3A H3A 120.8 . .
C2B C3B C4 118.1(5) . .
C2B C3B H3B 120.9 . .
C4 C3B H3B 120.9 . .
C3A C4 C3B 121.5(5) . .
C3A C4 H4 119.2 . .
C3B C4 H4 119.2 . .
C9A C5A N6A 105.8(5) . .
C9A C5A C2A 138.2(5) . .
N6A C5A C2A 116.0(4) . .
N7A N6A C5A 111.4(4) . .
N7A N6A Pt1 134.4(3) . .
C5A N6A Pt1 114.1(3) . .
N6A N7A N8A 104.6(4) . .
N7A N8A C9A 112.7(4) . .
N7A N8A C10A 118.1(4) . .
C9A N8A C10A 129.2(4) . .
N8A C9A C5A 105.4(5) . .
N8A C9A H9A 127.3 . .
C5A C9A H9A 127.3 . .
N8A C10A C11A 110.6(4) . .
N8A C10A C15A 107.7(3) . 4_575
C11A C10A C15A 109.4(4) . 4_575
N8A C10A C15A 107.7(3) . .
C11A C10A C15A 109.4(4) . .
C15A C10A C15A 112.0(7) 4_575 .
C10A C11A C12A 108.9(5) . .
C10A C11A H11A 109.9 . .
C12A C11A H11A 109.9 . .
C10A C11A H11B 109.9 . .
C12A C11A H11B 109.9 . .
H11A C11A H11B 108.3 . .
C13A C12A C13A 113.4(8) 4_575 .
C13A C12A C11A 108.5(4) 4_575 .
C13A C12A C11A 108.5(4) . .
C13A C12A H12A 108.8 4_575 .
C13A C12A H12A 108.8 . .
C11A C12A H12A 108.8 . .
C12A C13A C14A 108.9(6) . .
C12A C13A H13A 109.9 . .
C14A C13A H13A 109.9 . .
C12A C13A H13B 109.9 . .
C14A C13A H13B 109.9 . .
H13A C13A H13B 108.3 . .
C13A C14A C16A 108.6(8) . .
C13A C14A C15A 110.8(6) . .
C16A C14A C15A 107.9(8) . .
C13A C14A H14A 109.9 . .
C16A C14A H14A 109.9 . .
C15A C14A H14A 109.9 . .
C10A C15A C14A 108.0(6) . .
C10A C15A H15A 110.1 . .
C14A C15A H15A 110.1 . .
C10A C15A H15B 110.1 . .
C14A C15A H15B 110.1 . .
H15A C15A H15B 108.4 . .
C14A C16A C14A 112.1(9) . 4_575
C14A C16A H16A 109.2 . .
C14A C16A H16A 109.2 4_575 .
C14A C16A H16B 109.2 . .
C14A C16A H16B 109.2 4_575 .
H16A C16A H16B 107.9 . .
N6B C5B C9B 106.3(4) . .
N6B C5B C2B 116.7(4) . .
C9B C5B C2B 136.9(5) . .
N7B N6B C5B 112.0(4) . .
N7B N6B Pt1 134.0(3) . .
C5B N6B Pt1 113.9(3) . .
N6B N7B N8B 104.7(4) . .
C9B N8B N7B 112.0(4) . .
C9B N8B C10B 130.4(4) . .
N7B N8B C10B 117.7(4) . .
N8B C9B C5B 105.0(4) . .
N8B C9B H9B 127.5 . .
C5B C9B H9B 127.5 . .
N8B C10B C11B 110.2(4) . .
N8B C10B C15B 107.9(3) . 4_575
C11B C10B C15B 110.5(3) . 4_575
N8B C10B C15B 107.9(3) . .
C11B C10B C15B 110.5(3) . .
C15B C10B C15B 109.7(5) 4_575 .
C10B C11B C12B 108.1(5) . .
C10B C11B H11C 110.1 . .
C12B C11B H11C 110.1 . .
C10B C11B H11D 110.1 . .
C12B C11B H11D 110.1 . .
H11C C11B H11D 108.4 . .
C13B C12B C13B 110.4(6) 4_575 .
C13B C12B C11B 109.1(4) 4_575 .
C13B C12B C11B 109.1(4) . .
C13B C12B H12B 109.4 4_575 .
C13B C12B H12B 109.4 . .
C11B C12B H12B 109.4 . .
C14B C13B C12B 109.0(4) . .
C14B C13B H13C 109.9 . .
C12B C13B H13C 109.9 . .
C14B C13B H13D 109.9 . .
C12B C13B H13D 109.9 . .
H13C C13B H13D 108.3 . .
C13B C14B C16B 109.9(5) . .
C13B C14B C15B 109.5(4) . .
C16B C14B C15B 109.4(5) . .
C13B C14B H14B 109.3 . .
C16B C14B H14B 109.3 . .
C15B C14B H14B 109.3 . .
C10B C15B C14B 108.4(4) . .
C10B C15B H15C 110.0 . .
C14B C15B H15C 110.0 . .
C10B C15B H15D 110.0 . .
C14B C15B H15D 110.0 . .
H15C C15B H15D 108.4 . .
C14B C16B C14B 110.8(5) . 4_575
C14B C16B H16C 109.5 . .
C14B C16B H16C 109.5 4_575 .
C14B C16B H16D 109.5 . .
C14B C16B H16D 109.5 4_575 .
H16C C16B H16D 108.1 . .
F4 P1 F1 89.9(2) . .
F4 P1 F1 89.9(2) . 4_575
F1 P1 F1 91.2(2) . 4_575
F4 P1 F2 91.2(2) . .
F1 P1 F2 178.7(2) . .
F1 P1 F2 89.41(16) 4_575 .
F4 P1 F2 91.2(2) . 4_575
F1 P1 F2 89.41(16) . 4_575
F1 P1 F2 178.7(2) 4_575 4_575
F2 P1 F2 89.9(2) . 4_575
F4 P1 F3 178.6(3) . .
F1 P1 F3 89.12(18) . .
F1 P1 F3 89.12(18) 4_575 .
F2 P1 F3 89.8(2) . .
F2 P1 F3 89.8(2) 4_575 .
Cl11 C101 Cl12 111.6(4) . .
Cl11 C101 H10A 109.3 . .
Cl12 C101 H10A 109.3 . .
Cl11 C101 H10B 109.3 . .
Cl12 C101 H10B 109.3 . .
H10A C101 H10B 108.0 . .
Cl21 C201 Cl22 112.2(4) . .
Cl21 C201 H20A 109.2 . .
Cl22 C201 H20A 109.2 . .
Cl21 C201 H20B 109.2 . .
Cl22 C201 H20B 109.2 . .
H20A C201 H20B 107.9 . .
C302 C301 H30A 109.5 . .
C302 C301 H30B 109.5 . .
H30A C301 H30B 109.5 . .
C302 C301 H30C 109.5 . .
H30A C301 H30C 109.5 . .
H30B C301 H30C 109.5 . .
O303 C302 C301 114.2(10) . .
O303 C302 H30D 108.7 . .
C301 C302 H30D 108.7 . .
O303 C302 H30E 108.7 . .
C301 C302 H30E 108.7 . .
H30D C302 H30E 107.6 . .
C302 O303 C304 115.0(11) . .
O303 C304 C305 114.0(10) . .
O303 C304 H30F 108.7 . .
C305 C304 H30F 108.7 . .
O303 C304 H30G 108.7 . .
C305 C304 H30G 108.7 . .
H30F C304 H30G 107.6 . .
C304 C305 H30H 109.5 . .
C304 C305 H30I 109.5 . .
H30H C305 H30I 109.5 . .
C304 C305 H30J 109.5 . .
H30H C305 H30J 109.5 . .
H30I C305 H30J 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 N1 1.971(4) .
Pt1 N6A 1.991(4) .
Pt1 N6B 1.996(4) .
Pt1 Cl1 2.2768(14) .
N1 C2B 1.349(6) .
N1 C2A 1.355(6) .
C2A C3A 1.377(7) .
C2A C5A 1.461(7) .
C2B C3B 1.379(7) .
C2B C5B 1.465(7) .
C3A C4 1.382(8) .
C3A H3A 0.9400 .
C3B C4 1.389(8) .
C3B H3B 0.9400 .
C4 H4 0.9400 .
C5A C9A 1.365(7) .
C5A N6A 1.378(7) .
N6A N7A 1.313(6) .
N7A N8A 1.338(6) .
N8A C9A 1.344(7) .
N8A C10A 1.498(6) .
C9A H9A 0.9400 .
C10A C11A 1.510(8) .
C10A C15A 1.516(7) 4_575
C10A C15A 1.516(6) .
C11A C12A 1.544(8) .
C11A H11A 0.9800 .
C11A H11B 0.9800 .
C12A C13A 1.492(8) 4_575
C12A C13A 1.492(8) .
C12A H12A 0.9900 .
C13A C14A 1.506(9) .
C13A H13A 0.9800 .
C13A H13B 0.9800 .
C14A C16A 1.518(12) .
C14A C15A 1.525(8) .
C14A H14A 0.9900 .
C15A H15A 0.9800 .
C15A H15B 0.9800 .
C16A C14A 1.518(12) 4_575
C16A H16A 0.9800 .
C16A H16B 0.9800 .
C5B N6B 1.363(7) .
C5B C9B 1.374(7) .
N6B N7B 1.306(6) .
N7B N8B 1.354(6) .
N8B C9B 1.351(7) .
N8B C10B 1.491(6) .
C9B H9B 0.9400 .
C10B C11B 1.509(7) .
C10B C15B 1.525(5) 4_575
C10B C15B 1.525(5) .
C11B C12B 1.552(8) .
C11B H11C 0.9800 .
C11B H11D 0.9800 .
C12B C13B 1.536(7) 4_575
C12B C13B 1.536(7) .
C12B H12B 0.9900 .
C13B C14B 1.502(8) .
C13B H13C 0.9800 .
C13B H13D 0.9800 .
C14B C16B 1.504(7) .
C14B C15B 1.543(6) .
C14B H14B 0.9900 .
C15B H15C 0.9800 .
C15B H15D 0.9800 .
C16B C14B 1.504(7) 4_575
C16B H16C 0.9800 .
C16B H16D 0.9800 .
P1 F4 1.570(5) .
P1 F1 1.585(3) .
P1 F1 1.585(3) 4_575
P1 F2 1.589(3) .
P1 F2 1.589(3) 4_575
P1 F3 1.593(4) .
C101 Cl11 1.753(7) .
C101 Cl12 1.755(8) .
C101 H10A 0.9800 .
C101 H10B 0.9800 .
C201 Cl21 1.744(8) .
C201 Cl22 1.763(8) .
C201 H20A 0.9800 .
C201 H20B 0.9800 .
C301 C302 1.479(9) .
C301 H30A 0.9700 .
C301 H30B 0.9700 .
C301 H30C 0.9700 .
C302 O303 1.403(9) .
C302 H30D 0.9800 .
C302 H30E 0.9800 .
O303 C304 1.405(9) .
C304 C305 1.478(9) .
C304 H30F 0.9800 .
C304 H30G 0.9800 .
C305 H30H 0.9700 .
C305 H30I 0.9700 .
C305 H30J 0.9700 .
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
N6A Pt1 N1 C2B 180.0 . .
N6B Pt1 N1 C2B 0.0 . .
Cl1 Pt1 N1 C2B 0(100) . .
N6A Pt1 N1 C2A 0.0 . .
N6B Pt1 N1 C2A 180.0 . .
Cl1 Pt1 N1 C2A -180(100) . .
C2B N1 C2A C3A 0.000(1) . .
Pt1 N1 C2A C3A 180.0 . .
C2B N1 C2A C5A 180.0 . .
Pt1 N1 C2A C5A 0.0 . .
C2A N1 C2B C3B 0.000(1) . .
Pt1 N1 C2B C3B 180.0 . .
C2A N1 C2B C5B 180.0 . .
Pt1 N1 C2B C5B 0.0 . .
N1 C2A C3A C4 0.000(1) . .
C5A C2A C3A C4 180.0 . .
N1 C2B C3B C4 0.000(1) . .
C5B C2B C3B C4 180.0 . .
C2A C3A C4 C3B 0.000(1) . .
C2B C3B C4 C3A 0.000(1) . .
N1 C2A C5A C9A 180.0 . .
C3A C2A C5A C9A 0.000(2) . .
N1 C2A C5A N6A 0.000(1) . .
C3A C2A C5A N6A 180.0 . .
C9A C5A N6A N7A 0.000(1) . .
C2A C5A N6A N7A 180.0 . .
C9A C5A N6A Pt1 180.0 . .
C2A C5A N6A Pt1 0.0 . .
N1 Pt1 N6A N7A 180.0 . .
N6B Pt1 N6A N7A 180.0 . .
Cl1 Pt1 N6A N7A 0.0 . .
N1 Pt1 N6A C5A 0.0 . .
N6B Pt1 N6A C5A 0.0 . .
Cl1 Pt1 N6A C5A 180.0 . .
C5A N6A N7A N8A 0.000(1) . .
Pt1 N6A N7A N8A 180.0 . .
N6A N7A N8A C9A 0.0 . .
N6A N7A N8A C10A 180.0 . .
N7A N8A C9A C5A 0.0 . .
C10A N8A C9A C5A 180.0 . .
N6A C5A C9A N8A 0.0 . .
C2A C5A C9A N8A 180.0 . .
N7A N8A C10A C11A 180.0 . .
C9A N8A C10A C11A 0.000(1) . .
N7A N8A C10A C15A 60.5(4) . 4_575
C9A N8A C10A C15A -119.5(4) . 4_575
N7A N8A C10A C15A -60.5(4) . .
C9A N8A C10A C15A 119.5(4) . .
N8A C10A C11A C12A 180.000(1) . .
C15A C10A C11A C12A -61.5(4) 4_575 .
C15A C10A C11A C12A 61.5(4) . .
C10A C11A C12A C13A 61.8(5) . 4_575
C10A C11A C12A C13A -61.8(5) . .
C13A C12A C13A C14A -59.6(8) 4_575 .
C11A C12A C13A C14A 61.0(8) . .
C12A C13A C14A C16A 56.8(7) . .
C12A C13A C14A C15A -61.4(10) . .
N8A C10A C15A C14A 179.7(6) . .
C11A C10A C15A C14A -60.0(8) . .
C15A C10A C15A C14A 61.5(8) 4_575 .
C13A C14A C15A C10A 60.0(10) . .
C16A C14A C15A C10A -58.7(8) . .
C13A C14A C16A C14A -58.9(9) . 4_575
C15A C14A C16A C14A 61.1(10) . 4_575
N1 C2B C5B N6B 0.0 . .
C3B C2B C5B N6B 180.0 . .
N1 C2B C5B C9B 180.0 . .
C3B C2B C5B C9B 0.000(1) . .
C9B C5B N6B N7B 0.0 . .
C2B C5B N6B N7B 180.0 . .
C9B C5B N6B Pt1 180.0 . .
C2B C5B N6B Pt1 0.0 . .
N1 Pt1 N6B N7B 180.0 . .
N6A Pt1 N6B N7B 180.0 . .
Cl1 Pt1 N6B N7B 0.0 . .
N1 Pt1 N6B C5B 0.0 . .
N6A Pt1 N6B C5B 0.0 . .
Cl1 Pt1 N6B C5B 180.0 . .
C5B N6B N7B N8B 0.0 . .
Pt1 N6B N7B N8B 180.0 . .
N6B N7B N8B C9B 0.0 . .
N6B N7B N8B C10B 180.0 . .
N7B N8B C9B C5B 0.0 . .
C10B N8B C9B C5B 180.0 . .
N6B C5B C9B N8B 0.0 . .
C2B C5B C9B N8B 180.0 . .
C9B N8B C10B C11B 0.0 . .
N7B N8B C10B C11B 180.0 . .
C9B N8B C10B C15B 120.8(3) . 4_575
N7B N8B C10B C15B -59.2(3) . 4_575
C9B N8B C10B C15B -120.8(3) . .
N7B N8B C10B C15B 59.2(3) . .
N8B C10B C11B C12B 180.0 . .
C15B C10B C11B C12B 60.8(3) 4_575 .
C15B C10B C11B C12B -60.8(3) . .
C10B C11B C12B C13B -60.3(4) . 4_575
C10B C11B C12B C13B 60.3(4) . .
C13B C12B C13B C14B 58.5(7) 4_575 .
C11B C12B C13B C14B -61.4(6) . .
C12B C13B C14B C16B -58.7(5) . .
C12B C13B C14B C15B 61.5(6) . .
N8B C10B C15B C14B -178.5(4) . .
C11B C10B C15B C14B 60.9(5) . .
C15B C10B C15B C14B -61.2(6) 4_575 .
C13B C14B C15B C10B -60.8(6) . .
C16B C14B C15B C10B 59.8(5) . .
C13B C14B C16B C14B 60.3(6) . 4_575
C15B C14B C16B C14B -60.0(7) . 4_575
C301 C302 O303 C304 180.000(2) . .
C302 O303 C304 C305 180.000(2) . .
