#------------------------------------------------------------------------------
#$Date: 2019-11-23 12:13:57 +0200 (Sat, 23 Nov 2019) $
#$Revision: 233243 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/57/7235711.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_7235711
loop_
_publ_author_name
'Pasha, Sheik Saleem'
'Alam, Parvej'
'Dash, Subhra'
'Kaur, Gurpreet'
'Banerjee, Debashree'
'Chowdhury, Rajdeep'
'Rath, Nigam'
'Roy Choudhury, Angshuman'
'Laskar, Inamur Rahaman'
_publ_section_title
;
 Rare observation of ‘aggregation induced emission’ in
 cyclometalated platinum(ii) complexes and their biological activities
;
_journal_issue                   92
_journal_name_full               'RSC Adv.'
_journal_page_first              50549
_journal_paper_doi               10.1039/C4RA06623E
_journal_volume                  4
_journal_year                    2014
_chemical_formula_moiety         'C37 H32 N P2 Pt, (C H4 O), (Cl)'
_chemical_formula_sum            'C38 H36 Cl N O P2 Pt'
_chemical_formula_weight         815.16
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 92.576(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.0210(14)
_cell_length_b                   23.0522(17)
_cell_length_c                   16.6920(13)
_cell_measurement_reflns_used    9894
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.55
_cell_measurement_theta_min      2.44
_cell_volume                     6927.2(9)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXT-2013 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0308
_diffrn_reflns_av_unetI/netI     0.0259
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            40670
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.610
_diffrn_reflns_theta_min         2.443
_exptl_absorpt_coefficient_mu    4.251
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6632
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'sadabs v2012/1'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             3232
_exptl_crystal_size_max          0.378
_exptl_crystal_size_mid          0.211
_exptl_crystal_size_min          0.108
_refine_diff_density_max         1.099
_refine_diff_density_min         -0.565
_refine_diff_density_rms         0.111
_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     441
_refine_ls_number_reflns         8011
_refine_ls_number_restraints     99
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0361
_refine_ls_R_factor_gt           0.0271
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0375P)²+25.5389P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0720
_refine_ls_wR_factor_ref         0.0767
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6812
_reflns_number_total             8011
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c4ra06623e2.cif
_cod_data_source_block           r6113
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7235711
_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_min   0.296
_shelx_estimated_absorpt_t_max   0.657
_shelxl_version_number           2013-4
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.29110(2) 0.53691(2) 0.53345(2) 0.02332(5) Uani 1 1 d . . . . .
P1 P 0.26778(5) 0.62850(4) 0.48384(6) 0.02405(19) Uani 1 1 d . . . . .
P2 P 0.19404(5) 0.55390(4) 0.60943(6) 0.0257(2) Uani 1 1 d . . . . .
N1 N 0.37482(17) 0.51312(14) 0.4586(2) 0.0299(7) Uani 1 1 d . . . . .
C1 C 0.2145(2) 0.66472(17) 0.5597(2) 0.0309(8) Uani 1 1 d . . . . .
H1A H 0.2468 0.6732 0.6079 0.037 Uiso 1 1 calc R U . . .
H1B H 0.1938 0.7017 0.5385 0.037 Uiso 1 1 calc R U . . .
C2 C 0.1521(2) 0.62358(17) 0.5809(2) 0.0310(8) Uani 1 1 d . . . . .
H2A H 0.1169 0.6185 0.5342 0.037 Uiso 1 1 calc R U . . .
H2B H 0.1246 0.6396 0.6259 0.037 Uiso 1 1 calc R U . . .
C3 C 0.3913(2) 0.53984(17) 0.3906(3) 0.0374(10) Uani 1 1 d . . . . .
H3 H 0.3652 0.5743 0.3760 0.045 Uiso 1 1 calc R U . . .
C4 C 0.4440(2) 0.5198(2) 0.3410(3) 0.0451(11) Uani 1 1 d . . . . .
H4 H 0.4536 0.5396 0.2926 0.054 Uiso 1 1 calc R U . . .
C5 C 0.4829(2) 0.4703(2) 0.3626(3) 0.0459(12) Uani 1 1 d . . . . .
H5 H 0.5207 0.4559 0.3300 0.055 Uiso 1 1 calc R U . . .
C6 C 0.4664(2) 0.4425(2) 0.4312(3) 0.0384(10) Uani 1 1 d . . . . .
H6 H 0.4930 0.4084 0.4467 0.046 Uiso 1 1 calc R U . . .
C7 C 0.4113(2) 0.46331(17) 0.4789(3) 0.0315(8) Uani 1 1 d . . . . .
C8 C 0.3858(2) 0.43520(17) 0.5517(2) 0.0313(8) Uani 1 1 d . . . . .
C9 C 0.4187(3) 0.3852(2) 0.5830(3) 0.0476(11) Uani 1 1 d . . . . .
H9 H 0.4598 0.3685 0.5578 0.057 Uiso 1 1 calc R U . . .
C10 C 0.3918(3) 0.3596(2) 0.6510(3) 0.0551(13) Uani 1 1 d . . . . .
H10 H 0.4143 0.3254 0.6725 0.066 Uiso 1 1 calc R U . . .
C11 C 0.3323(3) 0.3843(2) 0.6873(3) 0.0510(12) Uani 1 1 d . . . . .
H11 H 0.3127 0.3667 0.7333 0.061 Uiso 1 1 calc R U . . .
C12 C 0.3011(2) 0.43506(19) 0.6562(3) 0.0376(9) Uani 1 1 d . . . . .
H12 H 0.2614 0.4525 0.6830 0.045 Uiso 1 1 calc R U . . .
C13 C 0.3259(2) 0.46117(15) 0.5875(2) 0.0272(8) Uani 1 1 d . . . . .
C14 C 0.3486(2) 0.67397(16) 0.4719(2) 0.0288(8) Uani 1 1 d . . . . .
C15 C 0.3656(2) 0.69874(17) 0.3993(3) 0.0384(10) Uani 1 1 d . . . . .
H15 H 0.3343 0.6925 0.3528 0.046 Uiso 1 1 calc R U . . .
C16 C 0.4293(3) 0.73306(19) 0.3951(4) 0.0525(14) Uani 1 1 d . . . . .
H16 H 0.4417 0.7498 0.3455 0.063 Uiso 1 1 calc DR U . . .
C17 C 0.4739(3) 0.7425(2) 0.4626(5) 0.0649(18) Uani 1 1 d . . . . .
H17 H 0.5167 0.7663 0.4593 0.078 Uiso 1 1 calc R U . . .
C18 C 0.4579(3) 0.7186(2) 0.5335(4) 0.0597(15) Uani 1 1 d . . . . .
H18 H 0.4893 0.7256 0.5798 0.072 Uiso 1 1 calc R U . . .
C19 C 0.3954(2) 0.6834(2) 0.5390(3) 0.0420(10) Uani 1 1 d . . . . .
H19 H 0.3849 0.6658 0.5887 0.050 Uiso 1 1 calc R U . . .
C20 C 0.2099(2) 0.63648(16) 0.3938(2) 0.0283(8) Uani 1 1 d . . . . .
C21 C 0.1805(3) 0.6905(2) 0.3733(3) 0.0484(12) Uani 1 1 d . . . . .
H21 H 0.1932 0.7233 0.4054 0.058 Uiso 1 1 calc R U . . .
C22 C 0.1329(3) 0.6969(3) 0.3066(3) 0.0647(16) Uani 1 1 d . . . . .
H22 H 0.1132 0.7340 0.2931 0.078 Uiso 1 1 calc R U . . .
C23 C 0.1144(3) 0.6500(3) 0.2602(3) 0.0537(13) Uani 1 1 d . . . . .
H23 H 0.0816 0.6544 0.2144 0.064 Uiso 1 1 calc R U . . .
C24 C 0.1431(2) 0.5960(2) 0.2796(3) 0.0440(11) Uani 1 1 d . . . . .
H24 H 0.1299 0.5635 0.2471 0.053 Uiso 1 1 calc R U . . .
C25 C 0.1912(2) 0.58906(18) 0.3464(2) 0.0326(9) Uani 1 1 d . . . . .
H25 H 0.2112 0.5519 0.3594 0.039 Uiso 1 1 calc R U . . .
C26 C 0.2159(2) 0.56424(17) 0.7156(2) 0.0318(8) Uani 1 1 d . . . . .
C27 C 0.2881(3) 0.5796(3) 0.7387(3) 0.0645(12) Uani 1 1 d . . . . .
H27 H 0.3258 0.5796 0.7009 0.077 Uiso 1 1 calc R U . . .
C28 C 0.3044(3) 0.5950(3) 0.8178(3) 0.0645(12) Uani 1 1 d . . . . .
H28 H 0.3533 0.6072 0.8335 0.077 Uiso 1 1 calc R U . . .
C29 C 0.2509(3) 0.5930(3) 0.8737(3) 0.0612(15) Uani 1 1 d . . . . .
H29 H 0.2630 0.6026 0.9280 0.073 Uiso 1 1 calc R U . . .
C30 C 0.1808(3) 0.5773(2) 0.8508(3) 0.0501(12) Uani 1 1 d . . . . .
H30 H 0.1437 0.5759 0.8895 0.060 Uiso 1 1 calc R U . . .
C31 C 0.1625(3) 0.5634(2) 0.7725(3) 0.0411(10) Uani 1 1 d . . . . .
H31 H 0.1127 0.5532 0.7572 0.049 Uiso 1 1 calc R U . . .
C32 C 0.1190(2) 0.50222(17) 0.5974(2) 0.0291(8) Uani 1 1 d . . . . .
C33 C 0.0472(2) 0.5171(2) 0.6194(3) 0.0406(10) Uani 1 1 d . . . . .
H33 H 0.0373 0.5547 0.6396 0.049 Uiso 1 1 calc R U . . .
C34 C -0.0092(2) 0.4763(2) 0.6112(3) 0.0471(12) Uani 1 1 d . . . . .
H34 H -0.0578 0.4858 0.6267 0.057 Uiso 1 1 calc R U . . .
C35 C 0.0047(3) 0.4224(2) 0.5810(3) 0.0478(12) Uani 1 1 d . . . . .
H35 H -0.0341 0.3945 0.5767 0.057 Uiso 1 1 calc R U . . .
C36 C 0.0737(3) 0.4085(2) 0.5569(3) 0.0424(10) Uani 1 1 d . . . . .
H36 H 0.0823 0.3715 0.5342 0.051 Uiso 1 1 calc DR U . . .
C37 C 0.1313(2) 0.44805(19) 0.5652(2) 0.0340(9) Uani 1 1 d . . . . .
H37 H 0.1794 0.4379 0.5487 0.041 Uiso 1 1 calc R U . . .
Cl1 Cl 0.5000 0.8520(2) 0.2500 0.076(2) Uani 0.556(11) 2 d S TU P A 1
Cl2 Cl 0.5000 0.3334(3) 0.2500 0.066(3) Uani 0.353(9) 2 d S TU P B 1
Cl2' Cl 0.5544(2) 0.3577(2) 0.2775(3) 0.0863(19) Uani 0.396(6) 1 d . U P C -2
Cl2A Cl 0.5000 0.2832(6) 0.2500 0.056(4) Uani 0.131(7) 2 d S TU P D 3
Cl2B Cl 0.4758(12) 0.2865(8) 0.2898(16) 0.056(4) Uani 0.068(4) 1 d . U P E -4
O1S O 0.7351(5) 0.7731(4) 0.2785(6) 0.0416(14) Uani 0.329(5) 1 d D U P . .
H1S H 0.7452 0.7447 0.3086 0.062 Uiso 0.329(5) 1 calc R U P . .
C1S C 0.6571(6) 0.7799(6) 0.2698(8) 0.0416(14) Uani 0.329(5) 1 d D U P . .
H1SA H 0.6454 0.8129 0.2345 0.062 Uiso 0.329(5) 1 calc R U P . .
H1SB H 0.6369 0.7868 0.3225 0.062 Uiso 0.329(5) 1 calc R U P . .
H1SC H 0.6350 0.7445 0.2464 0.062 Uiso 0.329(5) 1 calc R U P . .
O2S O 0.6891(12) 0.7552(9) 0.5337(12) 0.0416(14) Uani 0.164(7) 1 d D U P F 1
H2S H 0.7128 0.7827 0.5140 0.062 Uiso 0.164(7) 1 calc R U P F 1
C2S C 0.6599(16) 0.7733(7) 0.6084(11) 0.0416(14) Uani 0.164(7) 1 d D U P F 1
H2SA H 0.6161 0.7979 0.5977 0.062 Uiso 0.164(7) 1 calc R U P F 1
H2SB H 0.6978 0.7954 0.6393 0.062 Uiso 0.164(7) 1 calc R U P F 1
H2SC H 0.6457 0.7391 0.6390 0.062 Uiso 0.164(7) 1 calc R U P F 1
O3S O 0.3515(12) 0.2701(8) 0.3949(15) 0.0416(14) Uani 0.146(7) 1 d D U P G 2
H3S H 0.3278 0.2876 0.3578 0.062 Uiso 0.146(7) 1 calc R U P G 2
C3S C 0.3029(18) 0.2302(14) 0.433(2) 0.0416(14) Uani 0.146(7) 1 d D U P G 2
H3SA H 0.3187 0.1903 0.4229 0.062 Uiso 0.146(7) 1 calc R U P G 2
H3SB H 0.2519 0.2357 0.4117 0.062 Uiso 0.146(7) 1 calc R U P G 2
H3SC H 0.3049 0.2373 0.4912 0.062 Uiso 0.146(7) 1 calc R U P G 2
O4S O 0.4716(12) 0.1591(8) 0.7211(13) 0.0416(14) Uani 0.179(7) 1 d D U P H -1
H4S H 0.5091 0.1699 0.7488 0.062 Uiso 0.179(7) 1 calc R U P H -1
C4S C 0.4243(14) 0.2087(9) 0.7030(16) 0.0416(14) Uani 0.179(7) 1 d D U P H -1
H4SA H 0.4066 0.2071 0.6467 0.062 Uiso 0.179(7) 1 calc R U P H -1
H4SB H 0.4527 0.2445 0.7126 0.062 Uiso 0.179(7) 1 calc R U P H -1
H4SC H 0.3818 0.2081 0.7375 0.062 Uiso 0.179(7) 1 calc R U P H -1
O5S O 0.3277(8) 0.2586(6) 0.4329(10) 0.0416(14) Uani 0.233(7) 1 d D U P I 3
H5S H 0.3257 0.2850 0.4675 0.062 Uiso 0.233(7) 1 calc R U P I 3
C5S C 0.2844(11) 0.2098(7) 0.4572(13) 0.0416(14) Uani 0.233(7) 1 d D U P I 3
H5SA H 0.2806 0.1814 0.4136 0.062 Uiso 0.233(7) 1 calc R U P I 3
H5SB H 0.2345 0.2229 0.4699 0.062 Uiso 0.233(7) 1 calc R U P I 3
H5SC H 0.3085 0.1918 0.5048 0.062 Uiso 0.233(7) 1 calc R U P I 3
Cl1' Cl 0.5111(11) 0.8604(9) 0.3378(15) 0.056(4) Uani 0.061(4) 1 d . . P J 2
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'
P P 0.1023 0.0942 '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'
Cl Cl 0.1484 0.1585 '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
C13 Pt1 N1 79.84(14) . .
C13 Pt1 P2 97.52(11) . .
N1 Pt1 P2 173.72(9) . .
C13 Pt1 P1 170.91(11) . .
N1 Pt1 P1 98.74(9) . .
P2 Pt1 P1 84.76(3) . .
C20 P1 C14 106.73(18) . .
C20 P1 C1 103.28(18) . .
C14 P1 C1 105.16(18) . .
C20 P1 Pt1 118.96(13) . .
C14 P1 Pt1 115.82(13) . .
C1 P1 Pt1 105.27(13) . .
C32 P2 C26 108.89(18) . .
C32 P2 C2 104.59(18) . .
C26 P2 C2 102.03(18) . .
C32 P2 Pt1 114.91(13) . .
C26 P2 Pt1 115.79(13) . .
C2 P2 Pt1 109.27(13) . .
C3 N1 C7 118.6(3) . .
C3 N1 Pt1 125.8(3) . .
C7 N1 Pt1 115.5(3) . .
C2 C1 P1 107.0(3) . .
C2 C1 H1A 110.3 . .
P1 C1 H1A 110.3 . .
C2 C1 H1B 110.3 . .
P1 C1 H1B 110.3 . .
H1A C1 H1B 108.6 . .
C1 C2 P2 107.8(2) . .
C1 C2 H2A 110.1 . .
P2 C2 H2A 110.1 . .
C1 C2 H2B 110.1 . .
P2 C2 H2B 110.1 . .
H2A C2 H2B 108.5 . .
N1 C3 C4 123.0(4) . .
N1 C3 H3 118.5 . .
C4 C3 H3 118.5 . .
C3 C4 C5 118.7(4) . .
C3 C4 H4 120.7 . .
C5 C4 H4 120.7 . .
C6 C5 C4 119.0(4) . .
C6 C5 H5 120.5 . .
C4 C5 H5 120.5 . .
C5 C6 C7 120.7(4) . .
C5 C6 H6 119.6 . .
C7 C6 H6 119.6 . .
N1 C7 C6 120.0(4) . .
N1 C7 C8 114.4(3) . .
C6 C7 C8 125.5(4) . .
C9 C8 C13 121.5(4) . .
C9 C8 C7 122.2(4) . .
C13 C8 C7 116.3(3) . .
C10 C9 C8 120.2(4) . .
C10 C9 H9 119.9 . .
C8 C9 H9 119.9 . .
C11 C10 C9 119.5(4) . .
C11 C10 H10 120.3 . .
C9 C10 H10 120.3 . .
C10 C11 C12 119.6(4) . .
C10 C11 H11 120.2 . .
C12 C11 H11 120.2 . .
C13 C12 C11 122.3(4) . .
C13 C12 H12 118.9 . .
C11 C12 H12 118.9 . .
C12 C13 C8 117.0(3) . .
C12 C13 Pt1 129.0(3) . .
C8 C13 Pt1 113.9(3) . .
C15 C14 C19 119.4(4) . .
C15 C14 P1 122.9(3) . .
C19 C14 P1 117.7(3) . .
C14 C15 C16 119.3(5) . .
C14 C15 H15 120.3 . .
C16 C15 H15 120.3 . .
C17 C16 C15 120.2(5) . .
C17 C16 H16 119.9 . .
C15 C16 H16 119.9 . .
C18 C17 C16 120.9(5) . .
C18 C17 H17 119.5 . .
C16 C17 H17 119.5 . .
C17 C18 C19 120.1(5) . .
C17 C18 H18 120.0 . .
C19 C18 H18 120.0 . .
C14 C19 C18 120.1(5) . .
C14 C19 H19 119.9 . .
C18 C19 H19 119.9 . .
C25 C20 C21 119.2(4) . .
C25 C20 P1 120.9(3) . .
C21 C20 P1 119.8(3) . .
C22 C21 C20 120.7(4) . .
C22 C21 H21 119.6 . .
C20 C21 H21 119.6 . .
C23 C22 C21 120.0(5) . .
C23 C22 H22 120.0 . .
C21 C22 H22 120.0 . .
C22 C23 C24 120.1(4) . .
C22 C23 H23 119.9 . .
C24 C23 H23 119.9 . .
C23 C24 C25 120.4(4) . .
C23 C24 H24 119.8 . .
C25 C24 H24 119.8 . .
C20 C25 C24 119.6(4) . .
C20 C25 H25 120.2 . .
C24 C25 H25 120.2 . .
C31 C26 C27 119.1(4) . .
C31 C26 P2 122.8(3) . .
C27 C26 P2 117.8(3) . .
C28 C27 C26 119.2(5) . .
C28 C27 H27 120.4 . .
C26 C27 H27 120.4 . .
C29 C28 C27 120.9(5) . .
C29 C28 H28 119.5 . .
C27 C28 H28 119.5 . .
C30 C29 C28 119.5(5) . .
C30 C29 H29 120.2 . .
C28 C29 H29 120.2 . .
C29 C30 C31 120.9(5) . .
C29 C30 H30 119.6 . .
C31 C30 H30 119.6 . .
C30 C31 C26 120.4(4) . .
C30 C31 H31 119.8 . .
C26 C31 H31 119.8 . .
C37 C32 C33 119.2(4) . .
C37 C32 P2 120.5(3) . .
C33 C32 P2 120.3(3) . .
C34 C33 C32 119.3(4) . .
C34 C33 H33 120.4 . .
C32 C33 H33 120.4 . .
C35 C34 C33 120.5(4) . .
C35 C34 H34 119.8 . .
C33 C34 H34 119.8 . .
C36 C35 C34 120.4(4) . .
C36 C35 H35 119.8 . .
C34 C35 H35 119.8 . .
C35 C36 C37 120.5(5) . .
C35 C36 H36 119.8 . .
C37 C36 H36 119.8 . .
C32 C37 C36 120.1(4) . .
C32 C37 H37 119.9 . .
C36 C37 H37 119.9 . .
C1S O1S H1S 109.5 . .
O1S C1S H1SA 109.5 . .
O1S C1S H1SB 109.5 . .
H1SA C1S H1SB 109.5 . .
O1S C1S H1SC 109.5 . .
H1SA C1S H1SC 109.5 . .
H1SB C1S H1SC 109.5 . .
C2S O2S H2S 109.5 . .
O2S C2S H2SA 109.5 . .
O2S C2S H2SB 109.5 . .
H2SA C2S H2SB 109.5 . .
O2S C2S H2SC 109.5 . .
H2SA C2S H2SC 109.5 . .
H2SB C2S H2SC 109.5 . .
C3S O3S H3S 109.5 . .
O3S C3S H3SA 109.5 . .
O3S C3S H3SB 109.5 . .
H3SA C3S H3SB 109.5 . .
O3S C3S H3SC 109.5 . .
H3SA C3S H3SC 109.5 . .
H3SB C3S H3SC 109.5 . .
C4S O4S H4S 109.5 . .
O4S C4S C1S 128(2) . 5_666
O4S C4S H4SA 109.5 . .
C1S C4S H4SA 90.9 5_666 .
O4S C4S H4SB 109.5 . .
C1S C4S H4SB 107.3 5_666 .
H4SA C4S H4SB 109.5 . .
O4S C4S H4SC 109.5 . .
C1S C4S H4SC 21.6 5_666 .
H4SA C4S H4SC 109.5 . .
H4SB C4S H4SC 109.5 . .
C5S O5S H5S 109.5 . .
O5S C5S H5SA 109.5 . .
O5S C5S H5SB 109.5 . .
H5SA C5S H5SB 109.5 . .
O5S C5S H5SC 109.5 . .
H5SA C5S H5SC 109.5 . .
H5SB C5S H5SC 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C13 2.051(4) .
Pt1 N1 2.075(3) .
Pt1 P2 2.2408(9) .
Pt1 P1 2.2997(9) .
P1 C20 1.800(4) .
P1 C14 1.813(4) .
P1 C1 1.825(4) .
P2 C32 1.806(4) .
P2 C26 1.814(4) .
P2 C2 1.829(4) .
N1 C3 1.337(5) .
N1 C7 1.358(5) .
C1 C2 1.525(5) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 C4 1.369(6) .
C3 H3 0.9500 .
C4 C5 1.378(7) .
C4 H4 0.9500 .
C5 C6 1.357(7) .
C5 H5 0.9500 .
C6 C7 1.387(5) .
C6 H6 0.9500 .
C7 C8 1.469(6) .
C8 C9 1.388(6) .
C8 C13 1.392(5) .
C9 C10 1.386(7) .
C9 H9 0.9500 .
C10 C11 1.379(7) .
C10 H10 0.9500 .
C11 C12 1.388(6) .
C11 H11 0.9500 .
C12 C13 1.387(6) .
C12 H12 0.9500 .
C14 C15 1.388(6) .
C14 C19 1.388(6) .
C15 C16 1.398(6) .
C15 H15 0.9500 .
C16 C17 1.372(8) .
C16 H16 0.9500 .
C17 C18 1.350(9) .
C17 H17 0.9500 .
C18 C19 1.394(7) .
C18 H18 0.9500 .
C19 H19 0.9500 .
C20 C25 1.382(5) .
C20 C21 1.389(6) .
C21 C22 1.382(7) .
C21 H21 0.9500 .
C22 C23 1.364(7) .
C22 H22 0.9500 .
C23 C24 1.379(7) .
C23 H23 0.9500 .
C24 C25 1.391(6) .
C24 H24 0.9500 .
C25 H25 0.9500 .
C26 C31 1.382(6) .
C26 C27 1.385(6) .
C27 C28 1.385(7) .
C27 H27 0.9500 .
C28 C29 1.372(7) .
C28 H28 0.9500 .
C29 C30 1.353(8) .
C29 H29 0.9500 .
C30 C31 1.372(6) .
C30 H30 0.9500 .
C31 H31 0.9500 .
C32 C37 1.381(6) .
C32 C33 1.404(5) .
C33 C34 1.387(6) .
C33 H33 0.9500 .
C34 C35 1.369(7) .
C34 H34 0.9500 .
C35 C36 1.362(7) .
C35 H35 0.9500 .
C36 C37 1.384(6) .
C36 H36 0.9500 .
C37 H37 0.9500 .
O1S C1S 1.416(9) .
O1S H1S 0.8400 .
C1S H1SA 0.9800 .
C1S H1SB 0.9800 .
C1S H1SC 0.9800 .
O2S C2S 1.436(10) .
O2S H2S 0.8400 .
C2S H2SA 0.9800 .
C2S H2SB 0.9800 .
C2S H2SC 0.9800 .
O3S C3S 1.441(10) .
O3S H3S 0.8400 .
C3S H3SA 0.9800 .
C3S H3SB 0.9800 .
C3S H3SC 0.9800 .
O4S C4S 1.450(10) .
O4S H4S 0.8400 .
C4S C1S 1.58(3) 5_666
C4S H4SA 0.9800 .
C4S H4SB 0.9800 .
C4S H4SC 0.9800 .
O5S C5S 1.439(10) .
O5S H5S 0.8400 .
C5S H5SA 0.9800 .
C5S H5SB 0.9800 .
C5S H5SC 0.9800 .
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
C20 P1 C1 C2 76.6(3)
C14 P1 C1 C2 -171.7(3)
Pt1 P1 C1 C2 -48.9(3)
P1 C1 C2 P2 54.1(3)
C32 P2 C2 C1 -159.6(3)
C26 P2 C2 C1 87.0(3)
Pt1 P2 C2 C1 -36.1(3)
C7 N1 C3 C4 -1.0(7)
Pt1 N1 C3 C4 -175.5(4)
N1 C3 C4 C5 -1.1(7)
C3 C4 C5 C6 1.5(7)
C4 C5 C6 C7 0.1(7)
C3 N1 C7 C6 2.6(6)
Pt1 N1 C7 C6 177.7(3)
C3 N1 C7 C8 -176.1(4)
Pt1 N1 C7 C8 -1.0(4)
C5 C6 C7 N1 -2.2(6)
C5 C6 C7 C8 176.3(4)
N1 C7 C8 C9 -177.4(4)
C6 C7 C8 C9 4.0(7)
N1 C7 C8 C13 3.2(5)
C6 C7 C8 C13 -175.4(4)
C13 C8 C9 C10 0.5(7)
C7 C8 C9 C10 -178.8(5)
C8 C9 C10 C11 -0.1(8)
C9 C10 C11 C12 -1.3(8)
C10 C11 C12 C13 2.5(8)
C11 C12 C13 C8 -2.0(7)
C11 C12 C13 Pt1 -177.6(4)
C9 C8 C13 C12 0.5(6)
C7 C8 C13 C12 179.9(4)
C9 C8 C13 Pt1 176.8(3)
C7 C8 C13 Pt1 -3.9(5)
C20 P1 C14 C15 -12.0(4)
C1 P1 C14 C15 -121.2(3)
Pt1 P1 C14 C15 123.0(3)
C20 P1 C14 C19 168.8(3)
C1 P1 C14 C19 59.6(3)
Pt1 P1 C14 C19 -56.2(3)
C19 C14 C15 C16 -0.5(6)
P1 C14 C15 C16 -179.7(3)
C14 C15 C16 C17 -0.7(6)
C15 C16 C17 C18 0.8(7)
C16 C17 C18 C19 0.2(8)
C15 C14 C19 C18 1.5(6)
P1 C14 C19 C18 -179.2(3)
C17 C18 C19 C14 -1.4(7)
C14 P1 C20 C25 121.0(3)
C1 P1 C20 C25 -128.5(3)
Pt1 P1 C20 C25 -12.4(4)
C14 P1 C20 C21 -62.1(4)
C1 P1 C20 C21 48.5(4)
Pt1 P1 C20 C21 164.6(3)
C25 C20 C21 C22 0.3(7)
P1 C20 C21 C22 -176.7(4)
C20 C21 C22 C23 0.0(9)
C21 C22 C23 C24 -0.1(9)
C22 C23 C24 C25 -0.1(8)
C21 C20 C25 C24 -0.5(6)
P1 C20 C25 C24 176.4(3)
C23 C24 C25 C20 0.5(6)
C32 P2 C26 C31 -35.3(4)
C2 P2 C26 C31 74.8(4)
Pt1 P2 C26 C31 -166.6(3)
C32 P2 C26 C27 151.7(4)
C2 P2 C26 C27 -98.1(4)
Pt1 P2 C26 C27 20.4(4)
C31 C26 C27 C28 -1.4(8)
P2 C26 C27 C28 171.8(5)
C26 C27 C28 C29 2.6(10)
C27 C28 C29 C30 -1.8(10)
C28 C29 C30 C31 -0.1(9)
C29 C30 C31 C26 1.2(8)
C27 C26 C31 C30 -0.4(7)
P2 C26 C31 C30 -173.3(4)
C26 P2 C32 C37 -111.8(3)
C2 P2 C32 C37 139.7(3)
Pt1 P2 C32 C37 19.9(4)
C26 P2 C32 C33 69.4(4)
C2 P2 C32 C33 -39.1(4)
Pt1 P2 C32 C33 -158.9(3)
C37 C32 C33 C34 2.5(6)
P2 C32 C33 C34 -178.7(4)
C32 C33 C34 C35 -1.0(7)
C33 C34 C35 C36 -1.4(7)
C34 C35 C36 C37 2.2(7)
C33 C32 C37 C36 -1.8(6)
P2 C32 C37 C36 179.4(3)
C35 C36 C37 C32 -0.6(7)
