#------------------------------------------------------------------------------
#$Date: 2016-03-22 21:44:41 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179024 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/22/4122243.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_4122243
loop_
_publ_author_name
'Barnett, Brandon R.'
'Moore, Curtis E.'
'Rheingold, Arnold L.'
'Figueroa, Joshua S.'
_publ_section_title
;
 Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a
 Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane
 Interaction Promoted by a Small Bite-Angle LZ Chelate.
;
_journal_issue                   29
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10262
_journal_page_last               10265
_journal_paper_doi               10.1021/ja505843g
_journal_volume                  136
_journal_year                    2014
_chemical_formula_moiety         'C62 H74 Cl2 N2 Pt, 2(C H2 Cl2)'
_chemical_formula_sum            'C64 H78 Cl6 N2 Pt'
_chemical_formula_weight         1283.07
_chemical_name_common            cis-PtCl2(CNArDipp2)2
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2014-04-03
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2014.03.20 svn.r2914 for OlexSys, GUI svn.r4816)
;
_cell_angle_alpha                90
_cell_angle_beta                 111.479(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.427(3)
_cell_length_b                   12.4081(15)
_cell_length_c                   22.030(3)
_cell_measurement_reflns_used    9799
_cell_measurement_temperature    100
_cell_measurement_theta_max      26.415
_cell_measurement_theta_min      2.288
_cell_volume                     5959.1(13)
_computing_cell_refinement       'SAINT v7.60A (Bruker, 2009)'
_computing_data_collection       'APEX2 v2013.6-2 (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'Bruker Photon-100 area detector'
_diffrn_detector_area_resol_mean 10.5
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device       'four-circle KAPPA diffractometer'
_diffrn_measurement_device_type  'Bruker D8 QUEST'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'Double Bounce Multilayer Mirror'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0614
_diffrn_reflns_av_unetI/netI     0.0538
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.970
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            26617
_diffrn_reflns_point_group_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.970
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         26.413
_diffrn_reflns_theta_min         3.082
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\mus'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.664
_exptl_absorpt_correction_T_max  0.045244
_exptl_absorpt_correction_T_min  0.021369
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.
 
For component 1:
 wR2(int) was 0.0749 before and 0.0624 after correction.
 The Ratio of minimum to maximum transmission is 0.47.
 The λ/2 correction factor is Not present

Final HKLF 4 output contains 26617 reflections, Rint = 0.0614
 (8770 with I > 3sig(I), Rint = 0.0442)
;
_exptl_crystal_colour            Colorless
_exptl_crystal_colour_primary    Colorless
_exptl_crystal_density_diffrn    1.430
_exptl_crystal_description       Block
_exptl_crystal_F_000             2624
_exptl_crystal_size_max          0.173
_exptl_crystal_size_mid          0.125
_exptl_crystal_size_min          0.096
_refine_diff_density_max         1.634
_refine_diff_density_min         -1.426
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.120
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     339
_refine_ls_number_reflns         6394
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.120
_refine_ls_R_factor_all          0.0539
_refine_ls_R_factor_gt           0.0397
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0297P)²+17.5704P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0791
_refine_ls_wR_factor_ref         0.0834
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5554
_reflns_number_total             6394
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja505843g_si_002.cif
_cod_data_source_block           JFig631
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4122242--4122254.cif.
;
_cod_original_cell_volume        5959.2(13)
_cod_database_code               4122243
#BEGIN Tags that were not found in dictionaries:
_shelxl_version_number           2013-4
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.784
_shelx_estimated_absorpt_t_min   0.656
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C14(H14), C17(H17), C26(H26), C29(H29)
2.b Secondary CH2 refined with riding coordinates:
 C1S(H1SA,H1SB)
2.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C10(H10), C11(H11), C12(H12), C22(H22), C23(H23),
 C24(H24)
2.d Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C18(H18A,H18B,H18C), C19(H19A,H19B,
 H19C), C27(H27A,H27B,H27C), C28(H28A,H28B,H28C), C30(H30A,H30B,H30C), C31(H31A,
 H31B,H31C)
;
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_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'
'-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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Pt1 Pt 0.5000 0.53845(2) 0.2500 0.01696(8) Uani 1 2 d S T P
Cl1 Cl 0.57233(4) 0.40641(8) 0.26075(5) 0.0237(2) Uani 1 1 d . . .
N1 N 0.39408(15) 0.6985(2) 0.22469(16) 0.0165(7) Uani 1 1 d . . .
C1 C 0.43553(18) 0.6424(3) 0.2361(2) 0.0183(9) Uani 1 1 d . . .
C2 C 0.33737(17) 0.7513(3) 0.1939(2) 0.0174(8) Uani 1 1 d . . .
C3 C 0.30730(18) 0.7324(3) 0.1274(2) 0.0180(8) Uani 1 1 d . . .
C4 C 0.24991(18) 0.7797(3) 0.0977(2) 0.0205(9) Uani 1 1 d . . .
H4 H 0.2281 0.7698 0.0523 0.025 Uiso 1 1 calc R . .
C5 C 0.22443(18) 0.8405(3) 0.1333(2) 0.0221(9) Uani 1 1 d . . .
H5 H 0.1844 0.8695 0.1127 0.026 Uiso 1 1 calc R . .
C6 C 0.25639(18) 0.8602(3) 0.1994(2) 0.0195(9) Uani 1 1 d . . .
H6 H 0.2382 0.9031 0.2231 0.023 Uiso 1 1 calc R . .
C7 C 0.31484(17) 0.8175(3) 0.2311(2) 0.0182(8) Uani 1 1 d . . .
C8 C 0.33855(17) 0.6672(3) 0.09095(19) 0.0174(8) Uani 1 1 d . . .
C9 C 0.31968(18) 0.5604(3) 0.0714(2) 0.0210(9) Uani 1 1 d . . .
C10 C 0.35539(19) 0.4993(3) 0.0465(2) 0.0244(9) Uani 1 1 d . . .
H10 H 0.3439 0.4270 0.0336 0.029 Uiso 1 1 calc R . .
C11 C 0.40777(19) 0.5415(4) 0.0399(2) 0.0259(9) Uani 1 1 d . . .
H11 H 0.4325 0.4972 0.0242 0.031 Uiso 1 1 calc R . .
C12 C 0.42396(19) 0.6475(3) 0.0561(2) 0.0229(9) Uani 1 1 d . . .
H12 H 0.4592 0.6762 0.0503 0.027 Uiso 1 1 calc R . .
C13 C 0.38928(18) 0.7130(3) 0.0808(2) 0.0199(9) Uani 1 1 d . . .
C14 C 0.26205(18) 0.5129(3) 0.0774(2) 0.0228(9) Uani 1 1 d . . .
H14 H 0.2331 0.5741 0.0737 0.027 Uiso 1 1 calc R . .
C15 C 0.2294(2) 0.4335(4) 0.0228(3) 0.0375(12) Uani 1 1 d . . .
H15A H 0.2227 0.4672 -0.0195 0.056 Uiso 1 1 calc GR . .
H15B H 0.1897 0.4135 0.0251 0.056 Uiso 1 1 calc GR . .
H15C H 0.2547 0.3688 0.0277 0.056 Uiso 1 1 calc GR . .
C16 C 0.2750(2) 0.4603(4) 0.1437(2) 0.0342(11) Uani 1 1 d . . .
H16A H 0.3036 0.4003 0.1493 0.051 Uiso 1 1 calc GR . .
H16B H 0.2365 0.4332 0.1460 0.051 Uiso 1 1 calc GR . .
H16C H 0.2930 0.5136 0.1783 0.051 Uiso 1 1 calc GR . .
C17 C 0.40583(19) 0.8315(3) 0.0932(2) 0.0225(9) Uani 1 1 d . . .
H17 H 0.3739 0.8670 0.1065 0.027 Uiso 1 1 calc R . .
C18 C 0.4054(2) 0.8857(4) 0.0308(2) 0.0308(10) Uani 1 1 d . . .
H18A H 0.4387 0.8561 0.0189 0.046 Uiso 1 1 calc GR . .
H18B H 0.4113 0.9635 0.0381 0.046 Uiso 1 1 calc GR . .
H18C H 0.3660 0.8722 -0.0045 0.046 Uiso 1 1 calc GR . .
C19 C 0.4685(2) 0.8483(3) 0.1481(2) 0.0282(10) Uani 1 1 d . . .
H19A H 0.4666 0.8230 0.1895 0.042 Uiso 1 1 calc GR . .
H19B H 0.4789 0.9251 0.1516 0.042 Uiso 1 1 calc GR . .
H19C H 0.4998 0.8074 0.1383 0.042 Uiso 1 1 calc GR . .
C20 C 0.35204(17) 0.8452(3) 0.3007(2) 0.0173(8) Uani 1 1 d . . .
C21 C 0.37435(17) 0.9520(3) 0.3161(2) 0.0205(8) Uani 1 1 d . . .
C22 C 0.40914(18) 0.9764(3) 0.3813(2) 0.0231(9) Uani 1 1 d . . .
H22 H 0.4243 1.0476 0.3925 0.028 Uiso 1 1 calc R . .
C23 C 0.42193(19) 0.8996(3) 0.4299(2) 0.0245(9) Uani 1 1 d . . .
H23 H 0.4461 0.9176 0.4737 0.029 Uiso 1 1 calc R . .
C24 C 0.39933(19) 0.7964(3) 0.4143(2) 0.0231(9) Uani 1 1 d . . .
H24 H 0.4081 0.7438 0.4478 0.028 Uiso 1 1 calc R . .
C25 C 0.36384(18) 0.7678(3) 0.3502(2) 0.0220(9) Uani 1 1 d . . .
C26 C 0.36422(18) 1.0404(3) 0.2654(2) 0.0232(9) Uani 1 1 d . . .
H26 H 0.3343 1.0131 0.2230 0.028 Uiso 1 1 calc R . .
C27 C 0.3368(2) 1.1415(3) 0.2844(3) 0.0332(11) Uani 1 1 d . . .
H27A H 0.2978 1.1230 0.2889 0.050 Uiso 1 1 calc GR . .
H27B H 0.3296 1.1965 0.2505 0.050 Uiso 1 1 calc GR . .
H27C H 0.3654 1.1695 0.3260 0.050 Uiso 1 1 calc GR . .
C28 C 0.4237(2) 1.0680(4) 0.2559(3) 0.0345(11) Uani 1 1 d . . .
H28A H 0.4545 1.0909 0.2976 0.052 Uiso 1 1 calc GR . .
H28B H 0.4162 1.1266 0.2240 0.052 Uiso 1 1 calc GR . .
H28C H 0.4386 1.0044 0.2398 0.052 Uiso 1 1 calc GR . .
C29 C 0.33683(18) 0.6543(3) 0.3386(2) 0.0212(9) Uani 1 1 d . . .
H29 H 0.3156 0.6440 0.2905 0.025 Uiso 1 1 calc R . .
C30 C 0.2891(2) 0.6435(3) 0.3702(2) 0.0281(10) Uani 1 1 d . . .
H30A H 0.2700 0.5722 0.3605 0.042 Uiso 1 1 calc GR . .
H30B H 0.2576 0.6992 0.3528 0.042 Uiso 1 1 calc GR . .
H30C H 0.3090 0.6524 0.4175 0.042 Uiso 1 1 calc GR . .
C31 C 0.3866(2) 0.5680(3) 0.3637(2) 0.0270(10) Uani 1 1 d . . .
H31A H 0.4197 0.5833 0.3477 0.041 Uiso 1 1 calc GR . .
H31B H 0.3689 0.4971 0.3479 0.041 Uiso 1 1 calc GR . .
H31C H 0.4030 0.5682 0.4115 0.041 Uiso 1 1 calc GR . .
Cl1S Cl 0.51985(6) 0.70561(10) 0.57678(6) 0.0388(3) Uani 1 1 d . . .
Cl2S Cl 0.40857(7) 0.79577(10) 0.58748(7) 0.0441(3) Uani 1 1 d . . .
C1S C 0.4722(2) 0.7092(4) 0.6232(2) 0.0329(11) Uani 1 1 d . . .
H1SA H 0.4963 0.7344 0.6679 0.039 Uiso 1 1 calc R . .
H1SB H 0.4573 0.6355 0.6264 0.039 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'
Cl Cl 0.1484 0.1585 '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'
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
Cl1 Pt1 Cl1 89.46(5) 2_655 .
C1 Pt1 Cl1 175.83(12) . .
C1 Pt1 Cl1 175.83(12) 2_655 2_655
C1 Pt1 Cl1 87.44(11) 2_655 .
C1 Pt1 Cl1 87.45(11) . 2_655
C1 Pt1 C1 95.8(2) 2_655 .
C1 N1 C2 163.8(4) . .
N1 C1 Pt1 174.7(3) . .
C3 C2 N1 116.8(4) . .
C7 C2 N1 118.9(4) . .
C7 C2 C3 124.3(4) . .
C2 C3 C8 119.6(3) . .
C4 C3 C2 116.8(4) . .
C4 C3 C8 123.5(4) . .
C3 C4 H4 119.6 . .
C5 C4 C3 120.8(4) . .
C5 C4 H4 119.6 . .
C4 C5 H5 119.5 . .
C4 C5 C6 120.9(4) . .
C6 C5 H5 119.5 . .
C5 C6 H6 119.7 . .
C5 C6 C7 120.7(4) . .
C7 C6 H6 119.7 . .
C2 C7 C6 116.4(4) . .
C2 C7 C20 122.2(3) . .
C6 C7 C20 121.4(4) . .
C9 C8 C3 120.5(4) . .
C13 C8 C3 118.2(3) . .
C13 C8 C9 121.2(4) . .
C8 C9 C14 121.6(4) . .
C10 C9 C8 117.9(4) . .
C10 C9 C14 120.5(4) . .
C9 C10 H10 119.3 . .
C9 C10 C11 121.3(4) . .
C11 C10 H10 119.3 . .
C10 C11 H11 119.9 . .
C12 C11 C10 120.2(4) . .
C12 C11 H11 119.9 . .
C11 C12 H12 119.6 . .
C11 C12 C13 120.8(4) . .
C13 C12 H12 119.6 . .
C8 C13 C17 122.4(4) . .
C12 C13 C8 118.3(4) . .
C12 C13 C17 119.2(4) . .
C9 C14 H14 107.2 . .
C9 C14 C15 112.6(4) . .
C9 C14 C16 112.2(3) . .
C15 C14 H14 107.2 . .
C16 C14 H14 107.2 . .
C16 C14 C15 110.2(4) . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15B 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C14 C16 H16A 109.5 . .
C14 C16 H16B 109.5 . .
C14 C16 H16C 109.5 . .
H16A C16 H16B 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C13 C17 H17 108.1 . .
C13 C17 C18 110.3(4) . .
C13 C17 C19 112.3(3) . .
C18 C17 H17 108.1 . .
C18 C17 C19 109.8(3) . .
C19 C17 H17 108.1 . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18B 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
H19A C19 H19B 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C21 C20 C7 118.9(4) . .
C25 C20 C7 120.9(3) . .
C25 C20 C21 120.2(4) . .
C20 C21 C26 123.6(4) . .
C22 C21 C20 118.1(4) . .
C22 C21 C26 118.3(4) . .
C21 C22 H22 119.2 . .
C23 C22 C21 121.7(4) . .
C23 C22 H22 119.2 . .
C22 C23 H23 120.2 . .
C24 C23 C22 119.5(4) . .
C24 C23 H23 120.2 . .
C23 C24 H24 119.4 . .
C23 C24 C25 121.3(4) . .
C25 C24 H24 119.4 . .
C20 C25 C29 123.4(4) . .
C24 C25 C20 119.1(4) . .
C24 C25 C29 117.4(4) . .
C21 C26 H26 108.1 . .
C21 C26 C27 110.9(4) . .
C21 C26 C28 111.1(3) . .
C27 C26 H26 108.1 . .
C28 C26 H26 108.1 . .
C28 C26 C27 110.4(4) . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27B 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C26 C28 H28A 109.5 . .
C26 C28 H28B 109.5 . .
C26 C28 H28C 109.5 . .
H28A C28 H28B 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C25 C29 H29 108.1 . .
C25 C29 C31 111.8(3) . .
C30 C29 C25 109.5(3) . .
C30 C29 H29 108.1 . .
C30 C29 C31 111.3(4) . .
C31 C29 H29 108.1 . .
C29 C30 H30A 109.5 . .
C29 C30 H30B 109.5 . .
C29 C30 H30C 109.5 . .
H30A C30 H30B 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C29 C31 H31A 109.5 . .
C29 C31 H31B 109.5 . .
C29 C31 H31C 109.5 . .
H31A C31 H31B 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
Cl1S C1S Cl2S 111.4(3) . .
Cl1S C1S H1SA 109.4 . .
Cl1S C1S H1SB 109.4 . .
Cl2S C1S H1SA 109.4 . .
Cl2S C1S H1SB 109.4 . .
H1SA C1S H1SB 108.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 Cl1 2.3060(10) 2_655
Pt1 Cl1 2.3061(10) .
Pt1 C1 1.923(4) 2_655
Pt1 C1 1.923(4) .
N1 C1 1.146(5) .
N1 C2 1.412(5) .
C2 C3 1.395(6) .
C2 C7 1.392(6) .
C3 C4 1.391(5) .
C3 C8 1.505(6) .
C4 H4 0.9500 .
C4 C5 1.372(6) .
C5 H5 0.9500 .
C5 C6 1.393(6) .
C6 H6 0.9500 .
C6 C7 1.394(5) .
C7 C20 1.502(6) .
C8 C9 1.413(5) .
C8 C13 1.407(6) .
C9 C10 1.383(6) .
C9 C14 1.523(6) .
C10 H10 0.9500 .
C10 C11 1.389(6) .
C11 H11 0.9500 .
C11 C12 1.379(6) .
C12 H12 0.9500 .
C12 C13 1.393(6) .
C13 C17 1.520(5) .
C14 H14 1.0000 .
C14 C15 1.528(6) .
C14 C16 1.524(6) .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17 1.0000 .
C17 C18 1.527(6) .
C17 C19 1.536(6) .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 C21 1.420(5) .
C20 C25 1.402(6) .
C21 C22 1.401(6) .
C21 C26 1.520(6) .
C22 H22 0.9500 .
C22 C23 1.381(6) .
C23 H23 0.9500 .
C23 C24 1.380(6) .
C24 H24 0.9500 .
C24 C25 1.397(6) .
C25 C29 1.527(5) .
C26 H26 1.0000 .
C26 C27 1.537(6) .
C26 C28 1.522(6) .
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 H29 1.0000 .
C29 C30 1.525(6) .
C29 C31 1.530(5) .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
Cl1S C1S 1.769(5) .
Cl2S C1S 1.771(5) .
C1S H1SA 0.9900 .
C1S H1SB 0.9900 .
