#------------------------------------------------------------------------------
#$Date: 2016-05-06 05:05:53 +0300 (Fri, 06 May 2016) $
#$Revision: 182768 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/53/7055368.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_7055368
loop_
_publ_author_name
'Klingenberg, Margarita A.'
'Bogachenkov, Alexander S.'
'Kinzhalov, Mikhail A.'
'Vasilyev, Aleksander V.'
'Boyarskiy, Vadim P.'
_publ_section_title
;
 1,4-Dihydrophosphinolines and their complexes with group 10 metals
;
_journal_issue                   4
_journal_name_full               'New J. Chem.'
_journal_page_first              3336
_journal_paper_doi               10.1039/C5NJ03038B
_journal_volume                  40
_journal_year                    2016
_chemical_formula_moiety         'C17 H16 Br Cl P Pt0.5, C H2 Cl2'
_chemical_formula_sum            'C18 H18 Br Cl3 P Pt0.5'
_chemical_formula_weight         549.10
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2015-10-14
_audit_creation_method
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_audit_update_record
;
2015-10-20 deposited with the CCDC.
2016-02-09 downloaded from the CCDC.
;
_cell_angle_alpha                103.369(4)
_cell_angle_beta                 106.943(3)
_cell_angle_gamma                107.517(3)
_cell_formula_units_Z            2
_cell_length_a                   8.7628(3)
_cell_length_b                   11.1119(5)
_cell_length_c                   11.4634(5)
_cell_measurement_reflns_used    7545
_cell_measurement_temperature    100.0(10)
_cell_measurement_theta_max      76.0620
_cell_measurement_theta_min      4.2810
_cell_volume                     953.98(8)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_diffrn_ambient_temperature      100.0(10)
_diffrn_detector_area_resol_mean 10.3829
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details
;
  1 omega  -49.00   36.00   1.0000    3.0600
omega____ theta____ kappa____ phi______ frames
    -      -40.3787   38.0000  -30.0000 85

  2 omega  -62.00   33.00   1.0000    3.0600
omega____ theta____ kappa____ phi______ frames
    -      -40.3787   57.0000   60.0000 95

  3 omega -111.00  -16.00   1.0000    3.0600
omega____ theta____ kappa____ phi______ frames
    -      -40.3787  -57.0000 -180.0000 95

  4 omega   88.00  124.00   1.0000    3.0600
omega____ theta____ kappa____ phi______ frames
    -       40.3787  178.0000   30.0000 36

  5 omega   57.00  130.00   1.0000    3.0600
omega____ theta____ kappa____ phi______ frames
    -       40.3787  178.0000 -150.0000 73

  6 omega   34.00   60.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -95.0000 -180.0000 26

  7 omega   39.00  113.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000 -112.0000   90.0000 74

  8 omega   52.00  142.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -61.0000   90.0000 90

  9 omega  108.00  137.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000  178.0000  -30.0000 29

 10 omega   44.00   71.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -30.0000 -120.0000 27

 11 omega   32.00   61.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -95.0000  120.0000 29

 12 omega   76.00  101.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -95.0000  120.0000 25

 13 omega   62.00   88.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -61.0000  -60.0000 26

 14 omega   84.00  109.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -95.0000 -180.0000 25

 15 omega  127.00  168.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000   30.0000  -90.0000 41

 16 omega   89.00  115.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000 -112.0000  -60.0000 26

 17 omega   82.00  108.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000 -112.0000   30.0000 26

 18 omega   64.00  108.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000 -112.0000  -90.0000 44

 19 omega  107.00  149.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000  112.0000 -150.0000 42

 20 omega   44.00   92.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -45.0000 -120.0000 48

 21 omega   39.00   64.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000 -112.0000   30.0000 25

 22 omega   39.00   90.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -30.0000 -180.0000 51

 23 omega   84.00  129.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000  178.0000 -120.0000 45

 24 omega   38.00   82.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -30.0000  -30.0000 44

 25 omega   88.00  151.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000   45.0000 -150.0000 63

 26 omega   68.00  106.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -95.0000  -90.0000 38

 27 omega  149.00  177.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000   30.0000 -180.0000 28

 28 omega  102.00  128.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -61.0000  -60.0000 26

 29 omega   60.00   92.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -95.0000   90.0000 32

 30 omega  114.00  144.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000   45.0000 -180.0000 30

 31 omega   91.00  142.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -71.0000 -106.5526 51

 32 omega   47.00   91.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -30.0000   60.0000 44

 33 omega   40.00   65.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -83.0000  -18.0000 25

 34 omega  109.00  135.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -83.0000  -18.0000 26

 35 omega   89.00  115.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000 -112.0000 -180.0000 26

 36 omega  126.00  151.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000   61.0000   30.0000 25

 37 omega   34.00   61.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -15.0000 -180.0000 27

 38 omega  108.00  172.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -15.0000 -180.0000 64

 39 omega   47.00   72.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -71.0000 -106.5526 25

 40 omega    0.00   25.00   1.0000    3.0600
omega____ theta____ kappa____ phi______ frames
    -       40.0000   94.0000  -49.5239 25

 41 omega  -60.00  -25.00   1.0000    3.0600
omega____ theta____ kappa____ phi______ frames
    -      -40.3787  -38.0000    0.0000 35

 42 omega -114.00  -64.00   1.0000    3.0600
omega____ theta____ kappa____ phi______ frames
    -      -40.3787  -38.0000    0.0000 50

 43 omega -113.00  -26.00   1.0000    3.0600
omega____ theta____ kappa____ phi______ frames
    -      -40.3787  -38.0000  -90.0000 87

 44 omega    1.00   47.00   1.0000    3.0600
omega____ theta____ kappa____ phi______ frames
    -       40.3787  -99.0000 -150.0000 46

 45 omega    9.00   34.00   1.0000    3.0600
omega____ theta____ kappa____ phi______ frames
    -       44.0000   81.0000 -117.7837 25

 46 omega    6.00   31.00   1.0000    3.0600
omega____ theta____ kappa____ phi______ frames
    -       44.0000   90.0000   80.7222 25

 47 omega   12.00   37.00   1.0000    3.0600
omega____ theta____ kappa____ phi______ frames
    -       48.0000   84.0000  168.0649 25

 48 omega   18.00   43.00   1.0000    3.0600
omega____ theta____ kappa____ phi______ frames
    -       52.0000   80.0000   49.6074 25

 49 omega   19.00   44.00   1.0000    3.0600
omega____ theta____ kappa____ phi______ frames
    -       52.0000   82.0000  176.0149 25

 50 omega   27.00   53.00   1.0000    3.0600
omega____ theta____ kappa____ phi______ frames
    -       60.0000   76.0000  -39.0357 26

 51 omega   32.00   64.00   1.0000    3.0600
omega____ theta____ kappa____ phi______ frames
    -       64.0000   75.0000  141.2482 32

 52 omega   32.00   58.00   1.0000    3.0600
omega____ theta____ kappa____ phi______ frames
    -       64.0000   72.0000 -112.1865 26

 53 omega   35.00   61.00   1.0000    3.0600
omega____ theta____ kappa____ phi______ frames
    -       68.0000   76.0000 -163.1021 26

 54 omega   98.00  127.00   1.0000    3.0600
omega____ theta____ kappa____ phi______ frames
    -       68.0000   75.0000   39.2969 29

 55 omega   34.00   77.00   1.0000    3.0600
omega____ theta____ kappa____ phi______ frames
    -       68.0000   77.0000  -29.2138 43

 56 omega   35.00   66.00   1.0000    3.0600
omega____ theta____ kappa____ phi______ frames
    -       68.0000   75.0000   39.2969 31

 57 omega  112.00  144.00   1.0000    3.0600
omega____ theta____ kappa____ phi______ frames
    -       68.0000   76.0000  -85.8948 32

 58 omega   35.00   67.00   1.0000    3.0600
omega____ theta____ kappa____ phi______ frames
    -       68.0000   76.0000  -85.8948 32

 59 omega   41.00   80.00   1.0000    3.0600
omega____ theta____ kappa____ phi______ frames
    -       72.0000   77.0000   80.9503 39

 60 omega   56.00   85.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -       84.0000   55.0000   63.8290 29

 61 omega   63.00   89.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -       92.0000   54.0000 -150.5907 26

 62 omega   66.00   92.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -       96.0000   62.0000  141.1123 26

 63 omega   79.00  168.00   1.0000   12.2400
omega____ theta____ kappa____ phi______ frames
    -      113.0000   77.0000  -30.0000 89
;
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0451353000
_diffrn_orient_matrix_UB_12      -0.1396331000
_diffrn_orient_matrix_UB_13      -0.0967689000
_diffrn_orient_matrix_UB_21      0.0685162000
_diffrn_orient_matrix_UB_22      0.0672660000
_diffrn_orient_matrix_UB_23      -0.0881605000
_diffrn_orient_matrix_UB_31      0.1825364000
_diffrn_orient_matrix_UB_32      0.0075626000
_diffrn_orient_matrix_UB_33      0.0731333000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0406
_diffrn_reflns_av_unetI/netI     0.0335
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            13901
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.460
_diffrn_reflns_theta_min         4.303
_diffrn_source                   'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    14.199
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.65101
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.912
_exptl_crystal_description       prism
_exptl_crystal_F_000             532
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.004
_refine_diff_density_min         -0.520
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     216
_refine_ls_number_reflns         3786
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.0253
_refine_ls_R_factor_gt           0.0209
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0186P)²+0.4509P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0492
_refine_ls_wR_factor_ref         0.0507
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3481
_reflns_number_total             3786
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5nj03038b2.cif
_cod_data_source_block           kp1_new
_cod_depositor_comments
'Adding full bibliography for 7055365--7055370.cif.'
_cod_original_cell_volume        953.98(7)
_cod_original_formula_sum        'C18 H18 Br Cl3 P Pt0.50'
_cod_database_code               7055368
_shelxl_version_number           2014/6
_chemical_oxdiff_formula         'Pt1 P2 C10 H20'
_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.
;
_reflns_odcompleteness_completeness 94.43
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     80.95
_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 Secondary CH2 refined with riding coordinates:
 C19(H19A,H19B)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C12(H12), C6(H6), C15(H15), C8(H8), C7(H7), C16(H16),
 C13(H13), C14(H14)
2.c Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C18(H18A,H18B,H18C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_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 0.5000 0.0000 0.00953(6) Uani 1 2 d S T P
Br1 Br 0.72226(4) 0.19030(3) 0.02012(3) 0.01555(8) Uani 1 1 d . . .
Cl1 Cl 0.34575(10) 0.56301(8) 0.11710(7) 0.01643(15) Uani 1 1 d . . .
P1 P 0.61285(9) 0.41401(7) 0.15429(7) 0.00930(14) Uani 1 1 d . . .
Cl3 Cl 0.23863(12) 0.04905(10) 0.77922(8) 0.02961(19) Uani 1 1 d . . .
Cl2 Cl 0.29918(15) 0.03378(10) 0.53891(9) 0.0350(2) Uani 1 1 d . . .
C10 C 0.9036(4) 0.6063(3) 0.3751(3) 0.0122(6) Uani 1 1 d . . .
C3 C 0.9518(4) 0.4473(3) 0.2059(3) 0.0130(6) Uani 1 1 d . . .
H3 H 1.0344 0.4153 0.1929 0.016 Uiso 1 1 calc R . .
C5 C 0.9766(4) 0.6989(3) 0.5025(3) 0.0152(6) Uani 1 1 d . . .
H5 H 1.0965 0.7461 0.5424 0.018 Uiso 1 1 calc R . .
C11 C 0.4577(4) 0.2725(3) 0.1673(3) 0.0112(6) Uani 1 1 d . . .
C4 C 1.0184(4) 0.5898(3) 0.2996(3) 0.0121(6) Uani 1 1 d . . .
C12 C 0.5171(4) 0.1979(3) 0.2394(3) 0.0151(6) Uani 1 1 d . . .
H12 H 0.6356 0.2191 0.2775 0.018 Uiso 1 1 calc R . .
C9 C 0.7228(4) 0.5354(3) 0.3195(3) 0.0105(5) Uani 1 1 d . . .
C6 C 0.8746(4) 0.7218(3) 0.5706(3) 0.0165(6) Uani 1 1 d . . .
H6 H 0.9261 0.7847 0.6546 0.020 Uiso 1 1 calc R . .
C2 C 0.7868(4) 0.3642(3) 0.1411(3) 0.0117(6) Uani 1 1 d . . .
C15 C 0.1635(4) 0.1345(3) 0.1264(3) 0.0173(6) Uani 1 1 d . . .
H15 H 0.0450 0.1135 0.0892 0.021 Uiso 1 1 calc R . .
C8 C 0.6207(4) 0.5585(3) 0.3893(3) 0.0145(6) Uani 1 1 d . . .
H8 H 0.5009 0.5107 0.3510 0.017 Uiso 1 1 calc R . .
C7 C 0.6956(4) 0.6507(3) 0.5134(3) 0.0162(6) Uani 1 1 d . . .
H7 H 0.6269 0.6656 0.5590 0.019 Uiso 1 1 calc R . .
C16 C 0.2796(4) 0.2392(3) 0.1095(3) 0.0144(6) Uani 1 1 d . . .
H16 H 0.2388 0.2869 0.0601 0.017 Uiso 1 1 calc R . .
C13 C 0.3992(5) 0.0924(3) 0.2542(3) 0.0194(7) Uani 1 1 d . . .
H13 H 0.4390 0.0430 0.3019 0.023 Uiso 1 1 calc R . .
C19 C 0.2696(6) 0.1313(4) 0.6690(4) 0.0354(10) Uani 1 1 d . . .
H19A H 0.3706 0.2157 0.7151 0.042 Uiso 1 1 calc R . .
H19B H 0.1695 0.1520 0.6343 0.042 Uiso 1 1 calc R . .
C14 C 0.2222(4) 0.0608(3) 0.1979(3) 0.0194(7) Uani 1 1 d . . .
H14 H 0.1434 -0.0095 0.2080 0.023 Uiso 1 1 calc R . .
C17 C 1.0207(4) 0.6846(3) 0.2193(3) 0.0163(6) Uani 1 1 d . . .
H17A H 0.9040 0.6633 0.1623 0.024 Uiso 1 1 calc GR . .
H17B H 1.0886 0.6727 0.1686 0.024 Uiso 1 1 calc GR . .
H17C H 1.0709 0.7764 0.2772 0.024 Uiso 1 1 calc GR . .
C18 C 1.2069(4) 0.6282(3) 0.3918(3) 0.0161(6) Uani 1 1 d . . .
H18A H 1.2578 0.7223 0.4433 0.024 Uiso 1 1 calc GR . .
H18B H 1.2731 0.6099 0.3415 0.024 Uiso 1 1 calc GR . .
H18C H 1.2073 0.5762 0.4481 0.024 Uiso 1 1 calc GR . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Br Br -0.6763 1.2805 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 '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 180.0 2_665 .
Cl1 Pt1 P1 89.02(2) . .
Cl1 Pt1 P1 89.02(2) 2_665 2_665
Cl1 Pt1 P1 90.98(2) 2_665 .
Cl1 Pt1 P1 90.98(2) . 2_665
P1 Pt1 P1 180.0 . 2_665
C11 P1 Pt1 115.93(10) . .
C11 P1 C9 103.88(14) . .
C9 P1 Pt1 114.05(10) . .
C2 P1 Pt1 115.89(10) . .
C2 P1 C11 105.82(14) . .
C2 P1 C9 99.32(13) . .
C5 C10 C4 120.4(3) . .
C9 C10 C5 117.3(3) . .
C9 C10 C4 122.3(3) . .
C4 C3 H3 117.1 . .
C2 C3 H3 117.1 . .
C2 C3 C4 125.8(3) . .
C10 C5 H5 119.2 . .
C6 C5 C10 121.7(3) . .
C6 C5 H5 119.2 . .
C12 C11 P1 119.7(2) . .
C16 C11 P1 120.7(2) . .
C16 C11 C12 119.5(3) . .
C10 C4 C17 108.5(2) . .
C10 C4 C18 111.6(2) . .
C3 C4 C10 112.4(3) . .
C3 C4 C17 107.9(2) . .
C3 C4 C18 108.0(2) . .
C18 C4 C17 108.2(3) . .
C11 C12 H12 119.9 . .
C13 C12 C11 120.1(3) . .
C13 C12 H12 119.9 . .
C10 C9 P1 121.4(2) . .
C10 C9 C8 120.7(3) . .
C8 C9 P1 118.0(2) . .
C5 C6 H6 120.0 . .
C5 C6 C7 120.0(3) . .
C7 C6 H6 120.0 . .
P1 C2 Br1 116.94(16) . .
C3 C2 Br1 121.0(2) . .
C3 C2 P1 121.9(2) . .
C16 C15 H15 119.6 . .
C14 C15 H15 119.6 . .
C14 C15 C16 120.9(3) . .
C9 C8 H8 119.6 . .
C7 C8 C9 120.8(3) . .
C7 C8 H8 119.6 . .
C6 C7 H7 120.2 . .
C8 C7 C6 119.5(3) . .
C8 C7 H7 120.2 . .
C11 C16 H16 120.2 . .
C15 C16 C11 119.6(3) . .
C15 C16 H16 120.2 . .
C12 C13 H13 119.9 . .
C14 C13 C12 120.1(3) . .
C14 C13 H13 119.9 . .
Cl3 C19 Cl2 112.7(2) . .
Cl3 C19 H19A 109.1 . .
Cl3 C19 H19B 109.1 . .
Cl2 C19 H19A 109.1 . .
Cl2 C19 H19B 109.1 . .
H19A C19 H19B 107.8 . .
C15 C14 C13 119.7(3) . .
C15 C14 H14 120.1 . .
C13 C14 H14 120.1 . .
C4 C17 H17A 109.5 . .
C4 C17 H17B 109.5 . .
C4 C17 H17C 109.5 . .
H17A C17 H17B 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C4 C18 H18A 109.5 . .
C4 C18 H18B 109.5 . .
C4 C18 H18C 109.5 . .
H18A C18 H18B 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 Cl1 2.3047(7) 2_665
Pt1 Cl1 2.3047(7) .
Pt1 P1 2.3131(7) .
Pt1 P1 2.3131(7) 2_665
Br1 C2 1.904(3) .
P1 C11 1.812(3) .
P1 C9 1.818(3) .
P1 C2 1.804(3) .
Cl3 C19 1.757(4) .
Cl2 C19 1.764(4) .
C10 C5 1.402(4) .
C10 C4 1.530(4) .
C10 C9 1.402(4) .
C3 H3 0.9300 .
C3 C4 1.514(4) .
C3 C2 1.322(4) .
C5 H5 0.9300 .
C5 C6 1.388(5) .
C11 C12 1.402(4) .
C11 C16 1.396(4) .
C4 C17 1.550(4) .
C4 C18 1.542(4) .
C12 H12 0.9300 .
C12 C13 1.391(5) .
C9 C8 1.403(4) .
C6 H6 0.9300 .
C6 C7 1.389(5) .
C15 H15 0.9300 .
C15 C16 1.390(5) .
C15 C14 1.387(5) .
C8 H8 0.9300 .
C8 C7 1.372(4) .
C7 H7 0.9300 .
C16 H16 0.9300 .
C13 H13 0.9300 .
C13 C14 1.389(5) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C14 H14 0.9300 .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
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
Pt1 P1 C11 C12 167.9(2)
Pt1 P1 C11 C16 -14.1(3)
Pt1 P1 C9 C10 -96.6(2)
Pt1 P1 C9 C8 82.0(2)
Pt1 P1 C2 Br1 -82.70(17)
Pt1 P1 C2 C3 93.1(3)
P1 C11 C12 C13 177.5(2)
P1 C11 C16 C15 -176.8(2)
P1 C9 C8 C7 -178.7(2)
C10 C5 C6 C7 1.0(5)
C10 C9 C8 C7 -0.1(5)
C5 C10 C4 C3 148.0(3)
C5 C10 C4 C17 -92.6(3)
C5 C10 C4 C18 26.5(4)
C5 C10 C9 P1 179.3(2)
C5 C10 C9 C8 0.7(4)
C5 C6 C7 C8 -0.3(5)
C11 P1 C9 C10 136.2(3)
C11 P1 C9 C8 -45.2(3)
C11 P1 C2 Br1 47.3(2)
C11 P1 C2 C3 -136.9(3)
C11 C12 C13 C14 -0.2(5)
C4 C10 C5 C6 176.1(3)
C4 C10 C9 P1 2.1(4)
C4 C10 C9 C8 -176.5(3)
C4 C3 C2 Br1 177.0(2)
C4 C3 C2 P1 1.4(5)
C12 C11 C16 C15 1.3(4)
C12 C13 C14 C15 0.3(5)
C9 P1 C11 C12 -66.2(3)
C9 P1 C11 C16 111.8(2)
C9 P1 C2 Br1 154.70(17)
C9 P1 C2 C3 -29.5(3)
C9 C10 C5 C6 -1.2(5)
C9 C10 C4 C3 -34.8(4)
C9 C10 C4 C17 84.5(3)
C9 C10 C4 C18 -156.4(3)
C9 C8 C7 C6 -0.1(5)
C2 P1 C11 C12 37.9(3)
C2 P1 C11 C16 -144.1(2)
C2 P1 C9 C10 27.3(3)
C2 P1 C9 C8 -154.1(2)
C2 C3 C4 C10 33.9(4)
C2 C3 C4 C17 -85.7(4)
C2 C3 C4 C18 157.5(3)
C16 C11 C12 C13 -0.6(4)
C16 C15 C14 C13 0.4(5)
C14 C15 C16 C11 -1.2(5)
