#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:16:20 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178556 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/64/4066468.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_4066468
loop_
_publ_author_name
'Leung, Sammual Yu-Lut'
'Lam, Wai Han'
'Zhu, Nianyong'
'Yam, Vivian Wing-Wah'
_publ_section_title
;
 Synthesis, Structural Characterization, and Photophysical Study of
 Luminescent Face-to-Face Dinuclear Platinum(II) Alkynyl Phosphine
 Complexes and Their Tetranuclear Mixed-Metal
 Platinum(II)−Silver(I) and −Copper(I) Complexes†
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              5558
_journal_paper_doi               10.1021/om100473q
_journal_volume                  29
_journal_year                    2010
_chemical_formula_moiety         'C90 H76 N4 P4 Pt2, 4(C H2 Cl2)'
_chemical_formula_sum            'C94 H84 Cl8 N4 P4 Pt2'
_chemical_formula_weight         2067.31
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                104.444(1)
_cell_angle_beta                 100.856(1)
_cell_angle_gamma                93.525(1)
_cell_formula_units_Z            1
_cell_length_a                   11.9617(9)
_cell_length_b                   12.8784(10)
_cell_length_c                   15.8100(12)
_cell_measurement_reflns_used    15665
_cell_measurement_temperature    301(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.84
_cell_volume                     2301.2(3)
_computing_cell_refinement       'SAINT (Bruker AXS Inc, 2006)'
_computing_data_collection       'SMART (Bruker AXS Inc, 1998)'
_computing_data_reduction
;
SAINT (Bruker AXS Inc, 2006) & 
CrystalStructure (Rigaku/MSC and Rigaku Corporation, 2006)
;
_computing_molecular_graphics
'ORTEP-II (Johnson, 1976) & MERCURY (Macrae et al., 2008)'
_computing_publication_material  'SHELX (Sheldrick, 2008)'
_computing_structure_refinement  'SHELX (Sheldrick, 2008)'
_computing_structure_solution    'DIRDIF-99 (Beurskens et al, 1999)'
_diffrn_ambient_temperature      301(2)
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0219
_diffrn_reflns_av_sigmaI/netI    0.0401
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15665
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.83
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.384
_exptl_absorpt_correction_T_max  0.7735
_exptl_absorpt_correction_T_min  0.2992
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.492
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1028
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.204
_refine_diff_density_min         -0.891
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     572
_refine_ls_number_reflns         10206
_refine_ls_number_restraints     82
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0541
_refine_ls_R_factor_gt           0.0388
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0646P)²+0.5397P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0984
_refine_ls_wR_factor_ref         0.1068
_reflns_number_gt                8262
_reflns_number_total             10206
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            om100473q_si_004.cif
_cod_data_source_block           wt1773w-shelxl
_cod_database_code               4066468
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.101268(15) 0.048594(13) 0.462682(12) 0.05053(8) Uani 1 1 d . . .
Cl1 Cl 0.3686(6) 0.5456(5) 0.3618(4) 0.290(3) Uani 1 1 d DU . .
C46 C 0.3511(19) 0.6082(13) 0.2787(10) 0.319(11) Uani 1 1 d DU . .
H46A H 0.2711 0.6184 0.2614 0.383 Uiso 1 1 calc R . .
H46B H 0.3747 0.5649 0.2269 0.383 Uiso 1 1 calc R . .
Cl2 Cl 0.4340(7) 0.7312(7) 0.3179(6) 0.369(4) Uani 1 1 d DU . .
Cl3 Cl 0.3241(10) 0.3066(7) -0.1034(5) 0.422(6) Uani 0.590(11) 1 d PD A 1
C47 C 0.339(3) 0.304(3) -0.0027(13) 0.246(12) Uani 0.590(11) 1 d PDU A 1
H47A H 0.3703 0.2378 0.0051 0.295 Uiso 0.590(11) 1 calc PR A 1
H47B H 0.2659 0.3054 0.0150 0.295 Uiso 0.590(11) 1 calc PR A 1
Cl4 Cl 0.4316(15) 0.4142(14) 0.0609(11) 0.398(11) Uani 0.590(11) 1 d PD A 1
Cl3B Cl 0.3241(10) 0.3066(7) -0.1034(5) 0.422(6) Uani 0.410(11) 1 d PD A 2
C47B C 0.344(4) 0.347(5) 0.0034(14) 0.246(12) Uani 0.410(11) 1 d PD A 2
H47C H 0.2768 0.3248 0.0235 0.295 Uiso 0.410(11) 1 calc PR A 2
H47D H 0.3602 0.4246 0.0238 0.295 Uiso 0.410(11) 1 calc PR A 2
Cl4B Cl 0.4596(8) 0.2866(8) 0.0440(6) 0.174(5) Uani 0.410(11) 1 d PD A 2
P1 P -0.02983(14) 0.09372(13) 0.35665(10) 0.0680(4) Uani 0.669(12) 1 d PD B 1
C41 C -0.1672(6) 0.1082(6) 0.3943(5) 0.057(2) Uani 0.669(12) 1 d PD . 1
H41A H -0.1563 0.1728 0.4436 0.068 Uiso 0.669(12) 1 calc PR B 1
H41B H -0.2236 0.1198 0.3458 0.068 Uiso 0.669(12) 1 calc PR B 1
C42 C -0.0667(15) 0.0092(13) 0.2458(7) 0.121(5) Uani 0.669(12) 1 d PDU B 1
H42A H -0.0995 -0.0606 0.2463 0.181 Uiso 0.669(12) 1 calc PR B 1
H42B H 0.0008 0.0017 0.2212 0.181 Uiso 0.669(12) 1 calc PR B 1
H42C H -0.1214 0.0407 0.2100 0.181 Uiso 0.669(12) 1 calc PR B 1
C43 C 0.0019(14) 0.2273(11) 0.3427(15) 0.118(7) Uani 0.669(12) 1 d PD B 1
H43A H 0.0017 0.2806 0.3972 0.177 Uiso 0.669(12) 1 calc PR B 1
H43B H -0.0552 0.2386 0.2953 0.177 Uiso 0.669(12) 1 calc PR B 1
H43C H 0.0760 0.2332 0.3281 0.177 Uiso 0.669(12) 1 calc PR B 1
C44 C 0.2820(14) 0.1080(10) 0.6723(9) 0.119(5) Uani 0.669(12) 1 d PDU B 1
H44A H 0.3266 0.1639 0.6588 0.179 Uiso 0.669(12) 1 calc PR B 1
H44B H 0.3294 0.0793 0.7151 0.179 Uiso 0.669(12) 1 calc PR B 1
H44C H 0.2194 0.1373 0.6967 0.179 Uiso 0.669(12) 1 calc PR B 1
C45 C 0.3510(10) -0.0471(15) 0.5322(11) 0.130(5) Uani 0.669(12) 1 d PDU B 1
H45A H 0.4099 0.0123 0.5459 0.195 Uiso 0.669(12) 1 calc PR B 1
H45B H 0.3315 -0.0786 0.4688 0.195 Uiso 0.669(12) 1 calc PR B 1
H45C H 0.3781 -0.1004 0.5616 0.195 Uiso 0.669(12) 1 calc PR B 1
P2 P 0.22606(12) 0.00076(13) 0.57054(11) 0.0696(4) Uani 0.669(12) 1 d PD . 1
P1B P -0.02983(14) 0.09372(13) 0.35665(10) 0.0680(4) Uani 0.331(12) 1 d PD B 2
C41B C -0.1647(14) 0.0076(15) 0.3313(12) 0.078(6) Uani 0.331(12) 1 d PD . 2
H41C H -0.1533 -0.0647 0.3000 0.094 Uiso 0.331(12) 1 calc PR B 2
H41D H -0.2204 0.0337 0.2908 0.094 Uiso 0.331(12) 1 calc PR B 2
C42B C 0.010(3) 0.049(2) 0.2478(13) 0.109(9) Uani 0.331(12) 1 d PD B 2
H42D H -0.0165 -0.0266 0.2223 0.163 Uiso 0.331(12) 1 calc PR B 2
H42E H 0.0914 0.0598 0.2555 0.163 Uiso 0.331(12) 1 calc PR B 2
H42F H -0.0253 0.0893 0.2087 0.163 Uiso 0.331(12) 1 calc PR B 2
C43B C -0.045(3) 0.2315(13) 0.363(3) 0.115(14) Uani 0.331(12) 1 d PD B 2
H43D H 0.0291 0.2731 0.3845 0.173 Uiso 0.331(12) 1 calc PR B 2
H43E H -0.0939 0.2572 0.4035 0.173 Uiso 0.331(12) 1 calc PR B 2
H43F H -0.0776 0.2387 0.3049 0.173 Uiso 0.331(12) 1 calc PR B 2
C44B C 0.3578(17) 0.0861(19) 0.626(2) 0.113(10) Uani 0.331(12) 1 d PD B 2
H44D H 0.3413 0.1518 0.6632 0.170 Uiso 0.331(12) 1 calc PR B 2
H44E H 0.3963 0.1025 0.5818 0.170 Uiso 0.331(12) 1 calc PR B 2
H44F H 0.4061 0.0494 0.6615 0.170 Uiso 0.331(12) 1 calc PR B 2
C45B C 0.282(3) -0.1307(19) 0.537(2) 0.135(14) Uani 0.331(12) 1 d PD B 2
H45D H 0.2196 -0.1869 0.5126 0.202 Uiso 0.331(12) 1 calc PR B 2
H45E H 0.3294 -0.1446 0.5886 0.202 Uiso 0.331(12) 1 calc PR B 2
H45F H 0.3272 -0.1288 0.4932 0.202 Uiso 0.331(12) 1 calc PR B 2
P2B P 0.22606(12) 0.00076(13) 0.57054(11) 0.0696(4) Uani 0.331(12) 1 d PD . 2
N1 N 0.3907(4) 0.7268(3) 0.7105(3) 0.0663(11) Uani 1 1 d . B .
N2 N -0.0179(5) -0.6228(4) 0.1214(4) 0.0841(15) Uani 1 1 d . B .
C1 C 0.1436(5) 0.2037(4) 0.5264(4) 0.0608(12) Uani 1 1 d . B .
C2 C 0.1798(5) 0.2981(4) 0.5615(4) 0.0748(15) Uani 1 1 d . . .
C3 C 0.2279(5) 0.4092(4) 0.6007(4) 0.0704(14) Uani 1 1 d . B .
C4 C 0.2749(6) 0.4467(5) 0.6914(5) 0.0871(19) Uani 1 1 d . . .
H4 H 0.2710 0.4011 0.7283 0.105 Uiso 1 1 calc R B .
C5 C 0.3272(6) 0.5506(5) 0.7271(4) 0.0810(17) Uani 1 1 d . B .
H5 H 0.3592 0.5740 0.7880 0.097 Uiso 1 1 calc R . .
C6 C 0.3333(5) 0.6210(4) 0.6749(4) 0.0650(13) Uani 1 1 d . . .
C7 C 0.2824(6) 0.5855(5) 0.5858(4) 0.0849(18) Uani 1 1 d . B .
H7 H 0.2832 0.6327 0.5499 0.102 Uiso 1 1 calc R . .
C8 C 0.2302(7) 0.4814(5) 0.5486(4) 0.0875(19) Uani 1 1 d . . .
H8 H 0.1961 0.4592 0.4881 0.105 Uiso 1 1 calc R B .
C9 C 0.3710(4) 0.8038(4) 0.7831(3) 0.0565(11) Uani 1 1 d . . .
C10 C 0.2920(5) 0.7997(5) 0.8352(4) 0.0708(14) Uani 1 1 d . B .
H10 H 0.2419 0.7377 0.8254 0.085 Uiso 1 1 calc R . .
C11 C 0.2893(7) 0.8909(6) 0.9028(5) 0.0898(19) Uani 1 1 d . . .
H11 H 0.2362 0.8903 0.9388 0.108 Uiso 1 1 calc R B .
C12 C 0.3630(7) 0.9819(6) 0.9177(5) 0.097(2) Uani 1 1 d . B .
H12 H 0.3605 1.0411 0.9648 0.117 Uiso 1 1 calc R . .
C13 C 0.4403(6) 0.9885(5) 0.8654(4) 0.0778(16) Uani 1 1 d . . .
H13 H 0.4885 1.0517 0.8752 0.093 Uiso 1 1 calc R B .
C14 C 0.4449(4) 0.8982(4) 0.7971(4) 0.0602(12) Uani 1 1 d . B .
C15 C 0.5147(5) 0.8758(4) 0.7299(4) 0.0667(13) Uani 1 1 d . . .
C16 C 0.6041(5) 0.9366(6) 0.7111(5) 0.0836(18) Uani 1 1 d . B .
H16 H 0.6292 1.0070 0.7452 0.100 Uiso 1 1 calc R . .
C17 C 0.6523(6) 0.8912(7) 0.6430(6) 0.101(2) Uani 1 1 d . . .
H17 H 0.7075 0.9327 0.6276 0.122 Uiso 1 1 calc R B .
C18 C 0.6222(7) 0.7838(7) 0.5948(6) 0.105(2) Uani 1 1 d . B .
H18 H 0.6630 0.7524 0.5523 0.126 Uiso 1 1 calc R . .
C19 C 0.5311(7) 0.7230(6) 0.6099(5) 0.093(2) Uani 1 1 d . . .
H19 H 0.5062 0.6529 0.5751 0.112 Uiso 1 1 calc R B .
C20 C 0.4795(5) 0.7707(4) 0.6784(4) 0.0667(13) Uani 1 1 d . B .
C21 C 0.0745(4) -0.1052(4) 0.3911(4) 0.0607(12) Uani 1 1 d . B .
C22 C 0.0590(5) -0.1971(4) 0.3457(4) 0.0679(14) Uani 1 1 d . . .
C23 C 0.0374(5) -0.3060(4) 0.2897(4) 0.0680(14) Uani 1 1 d . B .
C24 C 0.0173(8) -0.3245(5) 0.1981(5) 0.095(2) Uani 1 1 d . . .
H24 H 0.0171 -0.2664 0.1731 0.114 Uiso 1 1 calc R B .
C25 C -0.0026(8) -0.4289(5) 0.1428(5) 0.096(2) Uani 1 1 d . B .
H25 H -0.0162 -0.4403 0.0812 0.116 Uiso 1 1 calc R . .
C26 C -0.0022(5) -0.5157(4) 0.1791(4) 0.0717(15) Uani 1 1 d . . .
C27 C 0.0116(6) -0.4981(4) 0.2691(4) 0.0776(16) Uani 1 1 d . B .
H27 H 0.0080 -0.5562 0.2939 0.093 Uiso 1 1 calc R . .
C28 C 0.0313(5) -0.3938(4) 0.3236(4) 0.0725(15) Uani 1 1 d . . .
H28 H 0.0406 -0.3829 0.3850 0.087 Uiso 1 1 calc R B .
C29 C -0.1052(7) -0.6628(5) 0.0474(5) 0.091(2) Uani 1 1 d . . .
C30 C -0.2038(8) -0.6213(7) 0.0202(6) 0.112(3) Uani 1 1 d . B .
H30 H -0.2197 -0.5547 0.0519 0.134 Uiso 1 1 calc R . .
C31 C -0.2794(10) -0.6820(10) -0.0563(7) 0.142(4) Uani 1 1 d . . .
H31 H -0.3477 -0.6563 -0.0763 0.171 Uiso 1 1 calc R B .
C32 C -0.2536(12) -0.7811(9) -0.1032(7) 0.148(5) Uani 1 1 d . B .
H32 H -0.3060 -0.8196 -0.1544 0.177 Uiso 1 1 calc R . .
C33 C -0.1574(10) -0.8243(8) -0.0788(6) 0.125(3) Uani 1 1 d U . .
H33 H -0.1427 -0.8903 -0.1126 0.150 Uiso 1 1 calc R B .
C34 C -0.0785(9) -0.7657(5) 0.0005(5) 0.099(3) Uani 1 1 d . B .
C35 C 0.0272(8) -0.7862(5) 0.0483(5) 0.095(2) Uani 1 1 d . . .
C36 C 0.0983(9) -0.8705(5) 0.0361(6) 0.105(2) Uani 1 1 d U B .
H36 H 0.0769 -0.9304 -0.0129 0.127 Uiso 1 1 calc R . .
C37 C 0.1942(10) -0.8637(7) 0.0943(7) 0.117(3) Uani 1 1 d U . .
H37 H 0.2390 -0.9205 0.0865 0.140 Uiso 1 1 calc R B .
C38 C 0.2312(10) -0.7742(7) 0.1672(7) 0.122(3) Uani 1 1 d . B .
H38 H 0.3007 -0.7711 0.2063 0.146 Uiso 1 1 calc R . .
C39 C 0.1643(8) -0.6892(6) 0.1818(6) 0.096(2) Uani 1 1 d . . .
H39 H 0.1877 -0.6292 0.2306 0.115 Uiso 1 1 calc R B .
C40 C 0.0644(7) -0.6966(5) 0.1228(5) 0.0826(18) Uani 1 1 d . B .
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'
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'
P P 0.1023 0.0942 '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
C1 Pt1 C21 172.98(19) . .
C1 Pt1 P2 90.80(17) . .
C21 Pt1 P2 89.09(16) . .
C1 Pt1 P1 89.99(17) . .
C21 Pt1 P1 90.39(16) . .
P2 Pt1 P1 177.65(5) . .
C1 Pt1 Pt1 109.53(15) . 2_556
C21 Pt1 Pt1 77.48(14) . 2_556
P2 Pt1 Pt1 87.25(4) . 2_556
P1 Pt1 Pt1 90.40(4) . 2_556
Cl1 C46 Cl2 107.8(8) . .
Cl1 C46 H46A 110.1 . .
Cl2 C46 H46A 110.1 . .
Cl1 C46 H46B 110.1 . .
Cl2 C46 H46B 110.1 . .
H46A C46 H46B 108.5 . .
Cl3 C47 Cl4 107.4(15) . .
Cl3 C47 H47A 110.2 . .
Cl4 C47 H47A 110.2 . .
Cl3 C47 H47B 110.2 . .
Cl4 C47 H47B 110.2 . .
H47A C47 H47B 108.5 . .
Cl4B C47B H47C 110.5 . .
Cl4B C47B H47D 110.5 . .
H47C C47B H47D 108.7 . .
C42 P1 C43 104.1(9) . .
C42 P1 C41 105.4(7) . .
C43 P1 C41 100.7(6) . .
C42 P1 Pt1 120.4(5) . .
C43 P1 Pt1 114.7(6) . .
C41 P1 Pt1 109.5(3) . .
P2 C41 P1 117.5(4) 2_556 .
P2 C41 H41A 107.9 2_556 .
P1 C41 H41A 107.9 . .
P2 C41 H41B 107.9 2_556 .
P1 C41 H41B 107.9 . .
H41A C41 H41B 107.2 . .
C41 P2 C45 104.1(6) 2_556 .
C41 P2 C44 105.7(5) 2_556 .
C45 P2 C44 105.0(8) . .
C41 P2 Pt1 113.4(3) 2_556 .
C45 P2 Pt1 112.2(4) . .
C44 P2 Pt1 115.4(4) . .
P2B C41B H41C 108.4 2_556 .
P2B C41B H41D 108.4 2_556 .
H41C C41B H41D 107.5 . .
H42D C42B H42E 109.5 . .
H42D C42B H42F 109.5 . .
H42E C42B H42F 109.5 . .
H43D C43B H43E 109.5 . .
H43D C43B H43F 109.5 . .
H43E C43B H43F 109.5 . .
H44D C44B H44E 109.5 . .
H44D C44B H44F 109.5 . .
H44E C44B H44F 109.5 . .
H45D C45B H45E 109.5 . .
H45D C45B H45F 109.5 . .
H45E C45B H45F 109.5 . .
C9 N1 C20 108.5(4) . .
C9 N1 C6 126.4(5) . .
C20 N1 C6 125.1(4) . .
C29 N2 C40 109.5(5) . .
C29 N2 C26 125.3(6) . .
C40 N2 C26 124.4(6) . .
C2 C1 Pt1 173.0(5) . .
C1 C2 C3 176.9(6) . .
C4 C3 C8 118.0(5) . .
C4 C3 C2 120.8(6) . .
C8 C3 C2 121.1(6) . .
C5 C4 C3 120.5(6) . .
C5 C4 H4 119.8 . .
C3 C4 H4 119.8 . .
C4 C5 C6 121.5(6) . .
C4 C5 H5 119.2 . .
C6 C5 H5 119.2 . .
C7 C6 C5 118.0(5) . .
C7 C6 N1 120.1(5) . .
C5 C6 N1 121.9(5) . .
C6 C7 C8 121.3(6) . .
C6 C7 H7 119.4 . .
C8 C7 H7 119.4 . .
C7 C8 C3 120.6(6) . .
C7 C8 H8 119.7 . .
C3 C8 H8 119.7 . .
C10 C9 N1 130.1(5) . .
C10 C9 C14 120.8(5) . .
N1 C9 C14 109.0(5) . .
C9 C10 C11 117.8(6) . .
C9 C10 H10 121.1 . .
C11 C10 H10 121.1 . .
C12 C11 C10 121.3(6) . .
C12 C11 H11 119.4 . .
C10 C11 H11 119.4 . .
C13 C12 C11 121.9(6) . .
C13 C12 H12 119.1 . .
C11 C12 H12 119.1 . .
C12 C13 C14 118.1(6) . .
C12 C13 H13 121.0 . .
C14 C13 H13 121.0 . .
C13 C14 C9 120.1(5) . .
C13 C14 C15 133.2(5) . .
C9 C14 C15 106.7(5) . .
C20 C15 C16 119.4(6) . .
C20 C15 C14 107.1(5) . .
C16 C15 C14 133.5(6) . .
C17 C16 C15 118.8(7) . .
C17 C16 H16 120.6 . .
C15 C16 H16 120.6 . .
C16 C17 C18 121.9(7) . .
C16 C17 H17 119.1 . .
C18 C17 H17 119.1 . .
C17 C18 C19 120.3(7) . .
C17 C18 H18 119.9 . .
C19 C18 H18 119.9 . .
C20 C19 C18 117.5(7) . .
C20 C19 H19 121.3 . .
C18 C19 H19 121.3 . .
C19 C20 C15 121.8(6) . .
C19 C20 N1 129.4(5) . .
C15 C20 N1 108.8(5) . .
C22 C21 Pt1 178.0(5) . .
C21 C22 C23 178.2(7) . .
C28 C23 C24 117.7(5) . .
C28 C23 C22 122.5(5) . .
C24 C23 C22 119.8(5) . .
C23 C24 C25 120.7(6) . .
C23 C24 H24 119.6 . .
C25 C24 H24 119.6 . .
C26 C25 C24 120.2(6) . .
C26 C25 H25 119.9 . .
C24 C25 H25 119.9 . .
C27 C26 C25 119.4(5) . .
C27 C26 N2 121.1(5) . .
C25 C26 N2 119.5(5) . .
C26 C27 C28 119.8(5) . .
C26 C27 H27 120.1 . .
C28 C27 H27 120.1 . .
C23 C28 C27 121.9(6) . .
C23 C28 H28 119.0 . .
C27 C28 H28 119.0 . .
C30 C29 N2 130.2(7) . .
C30 C29 C34 122.6(8) . .
N2 C29 C34 107.1(7) . .
C29 C30 C31 117.6(10) . .
C29 C30 H30 121.2 . .
C31 C30 H30 121.2 . .
C30 C31 C32 120.3(12) . .
C30 C31 H31 119.8 . .
C32 C31 H31 119.8 . .
C33 C32 C31 123.7(10) . .
C33 C32 H32 118.1 . .
C31 C32 H32 118.1 . .
C32 C33 C34 117.7(10) . .
C32 C33 H33 121.1 . .
C34 C33 H33 121.1 . .
C35 C34 C33 134.0(8) . .
C35 C34 C29 108.1(6) . .
C33 C34 C29 117.9(10) . .
C40 C35 C36 117.8(9) . .
C40 C35 C34 106.9(6) . .
C36 C35 C34 135.3(8) . .
C37 C36 C35 119.8(8) . .
C37 C36 H36 120.1 . .
C35 C36 H36 120.1 . .
C36 C37 C38 122.1(9) . .
C36 C37 H37 119.0 . .
C38 C37 H37 119.0 . .
C37 C38 C39 120.2(10) . .
C37 C38 H38 119.9 . .
C39 C38 H38 119.9 . .
C40 C39 C38 118.0(8) . .
C40 C39 H39 121.0 . .
C38 C39 H39 121.0 . .
C39 C40 C35 122.2(7) . .
C39 C40 N2 129.5(6) . .
C35 C40 N2 108.3(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C1 1.986(5) .
Pt1 C21 1.993(5) .
Pt1 P2 2.2791(15) .
Pt1 P1 2.2836(15) .
Pt1 Pt1 3.2045(4) 2_556
Cl1 C46 1.694(9) .
C46 Cl2 1.721(9) .
C46 H46A 0.9700 .
C46 H46B 0.9700 .
Cl3 C47 1.578(18) .
C47 Cl4 1.71(2) .
C47 H47A 0.9700 .
C47 H47B 0.9700 .
C47B Cl4B 1.72(2) .
C47B H47C 0.9700 .
C47B H47D 0.9700 .
P1 C42 1.775(10) .
P1 C43 1.814(11) .
P1 C41 1.855(8) .
C41 P2 1.785(7) 2_556
C41 H41A 0.9700 .
C41 H41B 0.9700 .
C42 H42A 0.9600 .
C42 H42B 0.9600 .
C42 H42C 0.9600 .
C43 H43A 0.9600 .
C43 H43B 0.9600 .
C43 H43C 0.9600 .
C44 P2 1.821(12) .
C44 H44A 0.9600 .
C44 H44B 0.9600 .
C44 H44C 0.9600 .
C45 P2 1.802(11) .
C45 H45A 0.9600 .
C45 H45B 0.9600 .
C45 H45C 0.9600 .
P2 C41 1.785(7) 2_556
C41B P2B 1.861(19) 2_556
C41B H41C 0.9700 .
C41B H41D 0.9700 .
C42B H42D 0.9600 .
C42B H42E 0.9600 .
C42B H42F 0.9600 .
C43B H43D 0.9600 .
C43B H43E 0.9600 .
C43B H43F 0.9600 .
C44B H44D 0.9600 .
C44B H44E 0.9600 .
C44B H44F 0.9600 .
C45B H45D 0.9600 .
C45B H45E 0.9600 .
C45B H45F 0.9600 .
N1 C9 1.384(7) .
N1 C20 1.408(7) .
N1 C6 1.414(7) .
N2 C29 1.378(9) .
N2 C40 1.411(9) .
N2 C26 1.431(6) .
C1 C2 1.217(7) .
C2 C3 1.443(8) .
C3 C4 1.387(9) .
C3 C8 1.388(8) .
C4 C5 1.375(8) .
C4 H4 0.9300 .
C5 C6 1.377(8) .
C5 H5 0.9300 .
C6 C7 1.374(8) .
C7 C8 1.379(8) .
C7 H7 0.9300 .
C8 H8 0.9300 .
C9 C10 1.373(8) .
C9 C14 1.402(7) .
C10 C11 1.384(9) .
C10 H10 0.9300 .
C11 C12 1.365(10) .
C11 H11 0.9300 .
C12 C13 1.363(9) .
C12 H12 0.9300 .
C13 C14 1.388(8) .
C13 H13 0.9300 .
C14 C15 1.456(8) .
C15 C20 1.387(8) .
C15 C16 1.406(8) .
C16 C17 1.339(10) .
C16 H16 0.9300 .
C17 C18 1.390(11) .
C17 H17 0.9300 .
C18 C19 1.394(10) .
C18 H18 0.9300 .
C19 C20 1.377(9) .
C19 H19 0.9300 .
C21 C22 1.204(7) .
C22 C23 1.438(7) .
C23 C28 1.371(8) .
C23 C24 1.379(9) .
C24 C25 1.387(9) .
C24 H24 0.9300 .
C25 C26 1.377(9) .
C25 H25 0.9300 .
C26 C27 1.360(8) .
C27 C28 1.381(7) .
C27 H27 0.9300 .
C28 H28 0.9300 .
C29 C30 1.364(11) .
C29 C34 1.435(10) .
C30 C31 1.386(12) .
C30 H30 0.9300 .
C31 C32 1.393(16) .
C31 H31 0.9300 .
C32 C33 1.342(16) .
C32 H32 0.9300 .
C33 C34 1.424(12) .
C33 H33 0.9300 .
C34 C35 1.422(12) .
C35 C40 1.406(9) .
C35 C36 1.417(11) .
C36 C37 1.311(12) .
C36 H36 0.9300 .
C37 C38 1.392(13) .
C37 H37 0.9300 .
C38 C39 1.394(11) .
C38 H38 0.9300 .
C39 C40 1.352(11) .
C39 H39 0.9300 .
