#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:09:00 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180170 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/66/7106680.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_7106680
loop_
_publ_author_name
'Arne Ficks'
'Ivan Martinez-Botella'
'Beverly Stewart'
'Ross W. Harrington'
'William Clegg'
'Lee J. Higham'
_publ_section_title
;
 Taming functionality: easy-to-handle chiral phosphiranes
;
_journal_name_full               Chem.Commun.
_journal_page_first              8274
_journal_paper_doi               10.1039/c1cc12440d
_journal_volume                  47
_journal_year                    2011
_chemical_formula_moiety         'C46 H38 Cl2 O2 P2 Pt, C H Cl3'
_chemical_formula_sum            'C47 H39 Cl5 O2 P2 Pt'
_chemical_formula_weight         1070.06
_chemical_name_systematic
;
?
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 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                 122.417(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   19.9049(8)
_cell_length_b                   8.3739(2)
_cell_length_c                   14.7846(6)
_cell_measurement_reflns_used    6551
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.40
_cell_measurement_theta_min      2.81
_cell_volume                     2080.30(17)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
;
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL and local programs'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.3968
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type
'Oxford Diffraction Gemini A Ultra diffractometer'
_diffrn_measurement_method       'thick-slice ω scans'
_diffrn_radiation_monochromator  none
_diffrn_radiation_source         'sealed tube with Enhance optics'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0521
_diffrn_reflns_av_sigmaI/netI    0.0644
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8694
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.82
_exptl_absorpt_coefficient_mu    3.811
_exptl_absorpt_correction_T_max  0.928
_exptl_absorpt_correction_T_min  0.750
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.708
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1060
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.619
_refine_diff_density_min         -0.815
_refine_diff_density_rms         0.124
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.009(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     241
_refine_ls_number_reflns         3631
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0339
_refine_ls_R_factor_gt           0.0336
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0400P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0760
_refine_ls_wR_factor_ref         0.0761
_reflns_number_gt                3587
_reflns_number_total             3631
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            c1cc12440d.txt
_cod_data_source_block           ljh12_compound_4b
_cod_original_cell_volume        2080.30(13)
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               7106680
#BEGIN Tags that were not found in dictionaries:
_computing_special_details
;
TITL ljh12 in C2
CELL 0.71073 19.9049 8.3739 14.7846 90.000 122.417 90.000
ZERR 2.00 0.0008 0.0002 0.0006 0.000 0.005 0.000
LATT -7
SYMM -X,Y,-Z
SFAC C H O P CL PT
UNIT 94 78 4 4 10 2
TEMP -123

REM one chloroform squeezed per molecule

L.S. 8
BOND $H
CONF

REM yellow plate
SIZE 0.08 0.08 0.02

FMAP 2
PLAN 5
OMIT 0 0 2
OMIT -2 0 2

ACTA 52

REM EXTI 0.000000
WGHT 0.040000
FVAR 3.22058
PT 6 0.500000 0.438783 0.500000 10.50000 0.01781 0.01372 =
0.01757 0.00000 0.00860 0.00000
CL 5 0.402621 0.242084 0.411066 11.00000 0.03955 0.02111 =
0.03928 -0.00250 0.01214 -0.01163
P 4 0.410254 0.613334 0.389988 11.00000 0.01623 0.01701 =
0.01954 -0.00126 0.00861 0.00130
O 3 0.404994 0.965996 0.205300 11.00000 0.02130 0.01858 =
0.04779 0.00384 0.01139 0.00151
C1 1 0.393220 0.815455 0.414009 11.00000 0.03221 0.01852 =
0.03130 -0.00587 0.01753 0.00210
AFIX 23
H1A 2 0.428145 0.857737 0.487535 11.00000 -1.20000
H1B 2 0.379024 0.894510 0.356661 11.00000 -1.20000
AFIX 0
C2 1 0.328079 0.694290 0.395329 11.00000 0.01966 0.03330 =
0.03172 0.00563 0.01627 0.01264
AFIX 23
H2A 2 0.275842 0.702098 0.326973 11.00000 -1.20000
H2B 2 0.324993 0.665302 0.457925 11.00000 -1.20000
AFIX 0
C3 1 0.372942 0.583658 0.250001 11.00000 0.00888 0.01221 =
0.01611 0.00052 0.00420 0.00223
C4 1 0.303809 0.489323 0.191052 11.00000 0.01580 0.01994 =
0.02354 0.00188 0.00750 0.00061
AFIX 43
H4 2 0.277388 0.451638 0.224629 11.00000 -1.20000
AFIX 0
C5 1 0.274691 0.451876 0.087635 11.00000 0.02062 0.01817 =
0.02744 -0.00424 0.00830 -0.00474
AFIX 43
H5 2 0.228230 0.387704 0.049684 11.00000 -1.20000
AFIX 0
C6 1 0.312133 0.506495 0.034828 11.00000 0.01290 0.03259 =
0.02313 -0.00366 0.00744 0.00387
C7 1 0.284172 0.465164 -0.072018 11.00000 0.02555 0.04939 =
0.02795 -0.01326 0.01061 0.00322
AFIX 43
H7 2 0.241381 0.391604 -0.108173 11.00000 -1.20000
AFIX 0
C8 1 0.316373 0.526944 -0.124189 11.00000 0.03035 0.09365 =
0.02586 -0.01775 0.01123 0.00305
AFIX 43
H8 2 0.294856 0.501412 -0.197353 11.00000 -1.20000
AFIX 0
C9 1 0.381913 0.629272 -0.069784 11.00000 0.04409 0.06894 =
0.04350 0.00299 0.03386 0.00430
AFIX 43
H9 2 0.405066 0.672096 -0.106442 11.00000 -1.20000
AFIX 0
C10 1 0.413567 0.669153 0.036354 11.00000 0.02189 0.05206 =
0.02423 0.00620 0.01163 0.00193
AFIX 43
H10 2 0.458111 0.738701 0.072268 11.00000 -1.20000
AFIX 0
C11 1 0.379439 0.606178 0.090697 11.00000 0.01714 0.03429 =
0.01943 0.00119 0.00874 0.01203
C12 1 0.411698 0.644376 0.202781 11.00000 0.01403 0.01610 =
0.02157 0.00001 0.00733 0.00566
C13 1 0.485405 0.741406 0.259447 11.00000 0.01288 0.02849 =
0.01643 0.00078 0.00726 0.00006
C14 1 0.562971 0.668541 0.307733 11.00000 0.01632 0.03321 =
0.01374 0.00225 0.01011 0.00321
C15 1 0.572468 0.500837 0.315586 11.00000 0.01618 0.03163 =
0.03304 0.00563 0.01124 0.00733
AFIX 43
H15 2 0.527496 0.433722 0.291573 11.00000 -1.20000
AFIX 0
C16 1 0.647050 0.434410 0.358127 11.00000 0.02572 0.03456 =
0.03721 0.00818 0.01376 0.01430
AFIX 43
H16 2 0.653298 0.321705 0.364493 11.00000 -1.20000
AFIX 0
C17 1 0.713455 0.532074 0.391904 11.00000 0.01404 0.05711 =
0.02689 -0.00516 0.00981 0.00772
AFIX 43
H17 2 0.764216 0.484886 0.419250 11.00000 -1.20000
AFIX 0
C18 1 0.706029 0.696136 0.385935 11.00000 0.01305 0.05454 =
0.01379 -0.00632 0.00511 -0.00332
AFIX 43
H18 2 0.751605 0.761405 0.409926 11.00000 -1.20000
AFIX 0
C19 1 0.630912 0.766540 0.344293 11.00000 0.01915 0.03713 =
0.01579 0.00089 0.01110 0.00005
C20 1 0.621411 0.934110 0.340347 11.00000 0.01754 0.03550 =
0.02909 0.01088 0.00735 -0.00409
AFIX 43
H20 2 0.666814 1.000777 0.366769 11.00000 -1.20000
AFIX 0
C21 1 0.548966 1.001547 0.299704 11.00000 0.03232 0.02245 =
0.04155 0.00139 0.01672 -0.00608
AFIX 43
H21 2 0.544474 1.114345 0.301057 11.00000 -1.20000
AFIX 0
C22 1 0.480007 0.905798 0.255316 11.00000 0.01867 0.02047 =
0.02517 0.00650 0.01000 0.00390
C23 1 0.395605 1.133004 0.179530 11.00000 0.03811 0.01981 =
0.05828 0.01025 0.02352 0.01028
AFIX 137
H23A 2 0.338944 1.160652 0.139883 11.00000 -1.50000
H23B 2 0.417468 1.156727 0.135346 11.00000 -1.50000
H23C 2 0.423991 1.195679 0.245764 11.00000 -1.50000

HKLF 4

REM ljh12 in C2
REM R1 = 0.0336 for 3587 Fo > 4sig(Fo) and 0.0339 for all 3631 data
REM 241 parameters refined using 1 restraints

END

WGHT 0.0400 0.0000
REM Highest difference peak 1.619, deepest hole -0.815, 1-sigma level 0.124
Q1 1 0.5087 0.4559 0.4398 11.00000 0.05 1.47
Q2 1 0.4803 0.5612 0.4862 11.00000 0.05 1.09
Q3 1 0.4767 0.3166 0.4889 11.00000 0.05 1.07
Q4 1 0.4721 0.5396 0.4286 11.00000 0.05 0.69
Q5 1 0.4699 0.3369 0.4287 11.00000 0.05 0.67
;
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt Pt 0.5000 0.43878(4) 0.5000 0.01681(11) Uani 1 2 d S . .
Cl Cl 0.40262(19) 0.2421(3) 0.4111(2) 0.0378(8) Uani 1 1 d . . .
P P 0.41025(16) 0.6133(3) 0.3900(2) 0.0181(6) Uani 1 1 d . . .
O O 0.4050(3) 0.9660(8) 0.2053(4) 0.0328(16) Uani 1 1 d . . .
C1 C 0.3932(4) 0.8155(8) 0.4140(6) 0.0271(16) Uani 1 1 d . . .
H1A H 0.4281 0.8577 0.4875 0.033 Uiso 1 1 calc R . .
H1B H 0.3790 0.8945 0.3567 0.033 Uiso 1 1 calc R . .
C2 C 0.3281(4) 0.6943(8) 0.3953(6) 0.0270(16) Uani 1 1 d . . .
H2A H 0.2758 0.7021 0.3270 0.032 Uiso 1 1 calc R . .
H2B H 0.3250 0.6653 0.4579 0.032 Uiso 1 1 calc R . .
C3 C 0.3729(3) 0.5837(7) 0.2500(5) 0.0137(13) Uani 1 1 d . . .
C4 C 0.3038(4) 0.4893(7) 0.1911(5) 0.0213(16) Uani 1 1 d . . .
H4 H 0.2774 0.4516 0.2246 0.026 Uiso 1 1 calc R . .
C5 C 0.2747(3) 0.4519(17) 0.0876(5) 0.0244(15) Uani 1 1 d . . .
H5 H 0.2282 0.3877 0.0497 0.029 Uiso 1 1 calc R . .
C6 C 0.3121(4) 0.5065(8) 0.0348(5) 0.0240(16) Uani 1 1 d . . .
C7 C 0.2842(4) 0.4652(16) -0.0720(6) 0.036(3) Uani 1 1 d . . .
H7 H 0.2414 0.3916 -0.1082 0.043 Uiso 1 1 calc R . .
C8 C 0.3164(5) 0.5269(12) -0.1242(7) 0.052(3) Uani 1 1 d . . .
H8 H 0.2949 0.5014 -0.1974 0.062 Uiso 1 1 calc R . .
C9 C 0.3819(5) 0.6293(12) -0.0698(7) 0.047(2) Uani 1 1 d . . .
H9 H 0.4051 0.6721 -0.1064 0.056 Uiso 1 1 calc R . .
C10 C 0.4136(4) 0.6692(10) 0.0364(6) 0.0331(18) Uani 1 1 d . . .
H10 H 0.4581 0.7387 0.0723 0.040 Uiso 1 1 calc R . .
C11 C 0.3794(4) 0.6062(8) 0.0907(5) 0.0242(16) Uani 1 1 d . . .
C12 C 0.4117(4) 0.6444(9) 0.2028(5) 0.0183(15) Uani 1 1 d . . .
C13 C 0.4854(4) 0.7414(8) 0.2594(5) 0.0196(15) Uani 1 1 d . . .
C14 C 0.5630(4) 0.6685(8) 0.3077(5) 0.0201(15) Uani 1 1 d . . .
C15 C 0.5725(4) 0.5008(8) 0.3156(6) 0.0279(17) Uani 1 1 d . . .
H15 H 0.5275 0.4337 0.2916 0.034 Uiso 1 1 calc R . .
C16 C 0.6470(3) 0.434(2) 0.3581(5) 0.0341(15) Uani 1 1 d . . .
H16 H 0.6533 0.3217 0.3645 0.041 Uiso 1 1 calc R . .
C17 C 0.7135(4) 0.5321(10) 0.3919(6) 0.0333(19) Uani 1 1 d . . .
H17 H 0.7642 0.4849 0.4193 0.040 Uiso 1 1 calc R . .
C18 C 0.7060(4) 0.6961(9) 0.3859(5) 0.0282(17) Uani 1 1 d . . .
H18 H 0.7516 0.7614 0.4099 0.034 Uiso 1 1 calc R . .
C19 C 0.6309(4) 0.7665(9) 0.3443(5) 0.0232(15) Uani 1 1 d . . .
C20 C 0.6214(3) 0.9341(19) 0.3403(5) 0.0300(14) Uani 1 1 d . . .
H20 H 0.6668 1.0008 0.3668 0.036 Uiso 1 1 calc R . .
C21 C 0.5490(5) 1.0015(9) 0.2997(6) 0.0337(19) Uani 1 1 d . . .
H21 H 0.5445 1.1143 0.3011 0.040 Uiso 1 1 calc R . .
C22 C 0.4800(4) 0.9058(8) 0.2553(5) 0.022(2) Uani 1 1 d . . .
C23 C 0.3956(5) 1.1330(10) 0.1795(8) 0.040(2) Uani 1 1 d . . .
H23A H 0.3389 1.1607 0.1399 0.060 Uiso 1 1 calc R . .
H23B H 0.4175 1.1567 0.1353 0.060 Uiso 1 1 calc R . .
H23C H 0.4240 1.1957 0.2458 0.060 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'
O O 0.0106 0.0060 '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
_geom_angle_publ_flag
Cl Pt Cl 90.42(15) . 2_656 ?
Cl Pt P 87.28(7) . . ?
Cl Pt P 87.28(7) 2_656 2_656 ?
Cl Pt P 169.06(10) 2_656 . ?
Cl Pt P 169.06(10) . 2_656 ?
P Pt P 96.92(14) . 2_656 ?
Pt P C1 130.0(3) . . ?
Pt P C2 127.6(3) . . ?
Pt P C3 115.3(2) . . ?
C1 P C2 50.9(3) . . ?
C1 P C3 110.6(3) . . ?
C2 P C3 106.0(3) . . ?
C22 O C23 117.0(6) . . ?
P C1 H1A 117.2 . . ?
P C1 H1B 117.2 . . ?
P C1 C2 65.0(4) . . ?
H1A C1 H1B 114.3 . . ?
H1A C1 C2 117.2 . . ?
H1B C1 C2 117.2 . . ?
P C2 C1 64.2(4) . . ?
P C2 H2A 117.3 . . ?
P C2 H2B 117.3 . . ?
C1 C2 H2A 117.3 . . ?
C1 C2 H2B 117.3 . . ?
H2A C2 H2B 114.4 . . ?
P C3 C4 116.8(5) . . ?
P C3 C12 122.0(5) . . ?
C4 C3 C12 121.1(6) . . ?
C3 C4 H4 119.5 . . ?
C3 C4 C5 120.9(7) . . ?
H4 C4 C5 119.5 . . ?
C4 C5 H5 119.4 . . ?
C4 C5 C6 121.1(8) . . ?
H5 C5 C6 119.4 . . ?
C5 C6 C7 122.1(7) . . ?
C5 C6 C11 119.0(7) . . ?
C7 C6 C11 118.9(7) . . ?
C6 C7 H7 119.1 . . ?
C6 C7 C8 121.8(9) . . ?
H7 C7 C8 119.1 . . ?
C7 C8 H8 120.3 . . ?
C7 C8 C9 119.4(8) . . ?
H8 C8 C9 120.3 . . ?
C8 C9 H9 119.4 . . ?
C8 C9 C10 121.2(8) . . ?
H9 C9 C10 119.4 . . ?
C9 C10 H10 120.2 . . ?
C9 C10 C11 119.5(8) . . ?
H10 C10 C11 120.2 . . ?
C6 C11 C10 119.1(6) . . ?
C6 C11 C12 119.8(6) . . ?
C10 C11 C12 121.0(7) . . ?
C3 C12 C11 117.9(6) . . ?
C3 C12 C13 124.5(6) . . ?
C11 C12 C13 117.6(6) . . ?
C12 C13 C14 121.3(6) . . ?
C12 C13 C22 119.5(6) . . ?
C14 C13 C22 118.7(6) . . ?
C13 C14 C15 121.4(6) . . ?
C13 C14 C19 119.5(6) . . ?
C15 C14 C19 119.0(6) . . ?
C14 C15 H15 120.0 . . ?
C14 C15 C16 120.1(9) . . ?
H15 C15 C16 120.0 . . ?
C15 C16 H16 119.8 . . ?
C15 C16 C17 120.4(13) . . ?
H16 C16 C17 119.8 . . ?
C16 C17 H17 119.6 . . ?
C16 C17 C18 120.7(8) . . ?
H17 C17 C18 119.6 . . ?
C17 C18 H18 120.1 . . ?
C17 C18 C19 119.9(7) . . ?
H18 C18 C19 120.1 . . ?
C14 C19 C18 119.8(7) . . ?
C14 C19 C20 118.7(6) . . ?
C18 C19 C20 121.5(6) . . ?
C19 C20 H20 119.3 . . ?
C19 C20 C21 121.3(9) . . ?
H20 C20 C21 119.3 . . ?
C20 C21 H21 119.7 . . ?
C20 C21 C22 120.6(9) . . ?
H21 C21 C22 119.7 . . ?
O C22 C13 115.5(6) . . ?
O C22 C21 123.6(6) . . ?
C13 C22 C21 120.9(6) . . ?
O C23 H23A 109.5 . . ?
O C23 H23B 109.5 . . ?
O C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
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 Cl 2.338(3) . ?
Pt Cl 2.338(3) 2_656 ?
Pt P 2.204(3) . ?
Pt P 2.204(3) 2_656 ?
P C1 1.799(7) . ?
P C2 1.811(7) . ?
P C3 1.802(7) . ?
O C22 1.359(8) . ?
O C23 1.435(11) . ?
C1 H1A 0.990 . ?
C1 H1B 0.990 . ?
C1 C2 1.550(10) . ?
C2 H2A 0.990 . ?
C2 H2B 0.990 . ?
C3 C4 1.411(9) . ?
C3 C12 1.385(9) . ?
C4 H4 0.950 . ?
C4 C5 1.350(10) . ?
C5 H5 0.950 . ?
C5 C6 1.414(10) . ?
C6 C7 1.408(10) . ?
C6 C11 1.410(10) . ?
C7 H7 0.950 . ?
C7 C8 1.343(12) . ?
C8 H8 0.950 . ?
C8 C9 1.399(13) . ?
C9 H9 0.950 . ?
C9 C10 1.382(12) . ?
C10 H10 0.950 . ?
C10 C11 1.404(10) . ?
C11 C12 1.456(10) . ?
C12 C13 1.482(10) . ?
C13 C14 1.444(9) . ?
C13 C22 1.380(10) . ?
C14 C15 1.413(10) . ?
C14 C19 1.418(10) . ?
C15 H15 0.950 . ?
C15 C16 1.381(10) . ?
C16 H16 0.950 . ?
C16 C17 1.399(14) . ?
C17 H17 0.950 . ?
C17 C18 1.380(11) . ?
C18 H18 0.950 . ?
C18 C19 1.405(10) . ?
C19 C20 1.413(18) . ?
C20 H20 0.950 . ?
C20 C21 1.353(12) . ?
C21 H21 0.950 . ?
C21 C22 1.411(10) . ?
C23 H23A 0.980 . ?
C23 H23B 0.980 . ?
C23 H23C 0.980 . ?
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
Cl Pt P C1 143.7(4) . . . . ?
Cl Pt P C1 -138.2(7) 2_656 . . . ?
Cl Pt P C2 77.0(4) . . . . ?
Cl Pt P C2 155.0(6) 2_656 . . . ?
Cl Pt P C3 -61.6(2) . . . . ?
Cl Pt P C3 16.5(8) 2_656 . . . ?
P Pt P C1 -26.1(3) 2_656 . . . ?
P Pt P C2 -92.9(3) 2_656 . . . ?
P Pt P C3 128.6(3) 2_656 . . . ?
Pt P C1 C2 -110.1(4) . . . . ?
C3 P C1 C2 94.3(4) . . . . ?
Pt P C2 C1 114.8(4) . . . . ?
C3 P C2 C1 -103.7(4) . . . . ?
Pt P C3 C4 92.0(5) . . . . ?
Pt P C3 C12 -85.4(5) . . . . ?
C1 P C3 C4 -108.5(5) . . . . ?
C1 P C3 C12 74.1(6) . . . . ?
C2 P C3 C4 -54.9(6) . . . . ?
C2 P C3 C12 127.7(6) . . . . ?
P C3 C4 C5 -175.5(7) . . . . ?
C12 C3 C4 C5 1.8(11) . . . . ?
C3 C4 C5 C6 -0.3(14) . . . . ?
C4 C5 C6 C7 178.1(9) . . . . ?
C4 C5 C6 C11 -2.2(14) . . . . ?
C5 C6 C7 C8 175.0(10) . . . . ?
C11 C6 C7 C8 -4.7(14) . . . . ?
C6 C7 C8 C9 3.1(15) . . . . ?
C7 C8 C9 C10 -0.7(14) . . . . ?
C8 C9 C10 C11 -0.1(13) . . . . ?
C9 C10 C11 C6 -1.6(11) . . . . ?
C9 C10 C11 C12 179.4(7) . . . . ?
C5 C6 C11 C10 -175.8(8) . . . . ?
C5 C6 C11 C12 3.2(11) . . . . ?
C7 C6 C11 C10 3.9(11) . . . . ?
C7 C6 C11 C12 -177.1(7) . . . . ?
P C3 C12 C11 176.5(5) . . . . ?
P C3 C12 C13 -1.4(9) . . . . ?
C4 C3 C12 C11 -0.7(9) . . . . ?
C4 C3 C12 C13 -178.7(6) . . . . ?
C6 C11 C12 C3 -1.8(10) . . . . ?
C6 C11 C12 C13 176.3(6) . . . . ?
C10 C11 C12 C3 177.2(6) . . . . ?
C10 C11 C12 C13 -4.7(10) . . . . ?
C3 C12 C13 C14 93.1(8) . . . . ?
C3 C12 C13 C22 -94.7(8) . . . . ?
C11 C12 C13 C14 -84.8(8) . . . . ?
C11 C12 C13 C22 87.4(8) . . . . ?
C12 C13 C14 C15 -8.6(10) . . . . ?
C12 C13 C14 C19 168.9(6) . . . . ?
C22 C13 C14 C15 179.2(6) . . . . ?
C22 C13 C14 C19 -3.4(9) . . . . ?
C13 C14 C15 C16 177.3(6) . . . . ?
C19 C14 C15 C16 -0.2(10) . . . . ?
C14 C15 C16 C17 -1.2(10) . . . . ?
C15 C16 C17 C18 1.7(10) . . . . ?
C16 C17 C18 C19 -0.8(10) . . . . ?
C17 C18 C19 C14 -0.5(10) . . . . ?
C17 C18 C19 C20 177.8(6) . . . . ?
C13 C14 C19 C18 -176.5(6) . . . . ?
C13 C14 C19 C20 5.1(9) . . . . ?
C15 C14 C19 C18 1.0(9) . . . . ?
C15 C14 C19 C20 -177.4(6) . . . . ?
C14 C19 C20 C21 -2.0(9) . . . . ?
C18 C19 C20 C21 179.7(7) . . . . ?
C19 C20 C21 C22 -3.0(10) . . . . ?
C23 O C22 C13 -167.3(6) . . . . ?
C23 O C22 C21 11.9(10) . . . . ?
C12 C13 C22 O 5.3(9) . . . . ?
C12 C13 C22 C21 -174.0(6) . . . . ?
C14 C13 C22 O 177.7(6) . . . . ?
C14 C13 C22 C21 -1.6(10) . . . . ?
C20 C21 C22 O -174.4(6) . . . . ?
C20 C21 C22 C13 4.8(11) . . . . ?
