#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:23:37 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178897 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/26/4112680.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_4112680
loop_
_publ_author_name
'Wei Lu'
'Michael C. W. Chan'
'Nianyong Zhu'
'Chi-Ming Che'
'Chuannan Li'
'Zheng Hui'
_publ_contact_author_address
;
Department of Chemistry, The University of Hong Kong, Pokfulam Road, 
Hong kong SAR, China
;
_publ_contact_author_name        'Chi-Ming Che (Prof.)'
_publ_section_title
;
 Structural and Spectroscopic Studies on Pt...Pt and π-π Interactions in
 Luminescent Multinuclear Cyclometalated Platinum(II) Homologues Tethered
 by Oligophosphine Auxiliaries
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7639
_journal_page_last               7651
_journal_paper_doi               10.1021/ja039727o
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'C110 H119 Cl3 N9 O12 P3 Pt3'
_chemical_formula_sum            'C110 H119 Cl3 N9 O12 P3 Pt3'
_chemical_formula_weight         2543.67
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_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_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.55(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   59.405(12)
_cell_length_b                   13.579(3)
_cell_length_c                   29.636(6)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     22664(9)
_computing_cell_refinement       Scalepack
_computing_data_collection       Marcontrol
_computing_data_reduction        Denzo
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-97
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.915
_diffrn_measured_fraction_theta_max 0.915
_diffrn_measurement_device_type  'Marresearch Imaging Plate mar300'
_diffrn_measurement_method       Oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0528
_diffrn_reflns_av_sigmaI/netI    0.0874
_diffrn_reflns_limit_h_max       71
_diffrn_reflns_limit_h_min       -71
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            56592
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    3.868
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.491
_exptl_crystal_description       prism
_exptl_crystal_F_000             10144
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.597
_refine_diff_density_min         -2.329
_refine_diff_density_rms         0.207
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1167
_refine_ls_number_reflns         19009
_refine_ls_number_restraints     127
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0852
_refine_ls_R_factor_gt           0.0597
_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)+(0.1138P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1788
_refine_ls_wR_factor_ref         0.1881
_reflns_number_gt                12707
_reflns_number_total             19009
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja039727osi20040406_083915_2.cif
_cod_data_source_block           Cpd14(Cl04)3(3MeCN)-mar548
_cod_original_cell_volume        22664(8)
_cod_database_code               4112680
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.846578(7) -0.01706(3) 0.172239(15) 0.05044(14) Uani 1 1 d . . .
Pt2 Pt 0.863776(7) 0.18991(3) 0.141708(15) 0.04600(13) Uani 1 1 d . . .
Pt3 Pt 0.866392(7) 0.38992(3) 0.063753(15) 0.04877(13) Uani 1 1 d . . .
P1 P 0.80840(5) 0.02105(19) 0.13321(11) 0.0515(7) Uani 1 1 d . . .
P2 P 0.82646(5) 0.24246(19) 0.13294(10) 0.0480(6) Uani 1 1 d . . .
P3 P 0.83248(5) 0.43643(19) 0.07640(11) 0.0500(6) Uani 1 1 d . . .
N1 N 0.85951(15) -0.0875(6) 0.1195(3) 0.054(2) Uani 1 1 d . . .
N2 N 0.87946(14) -0.0592(6) 0.2109(3) 0.053(2) Uani 1 1 d . . .
N3 N 0.88543(15) 0.2123(6) 0.2164(3) 0.051(2) Uani 1 1 d . . .
N4 N 0.89695(14) 0.1536(6) 0.1422(3) 0.048(2) Uani 1 1 d . . .
N5 N 0.85220(15) 0.3457(7) -0.0098(3) 0.054(2) Uani 1 1 d . . .
N6 N 0.89592(16) 0.3659(6) 0.0460(3) 0.054(2) Uani 1 1 d . . .
C1 C 0.8488(2) -0.1011(7) 0.0724(4) 0.058(3) Uani 1 1 d . . .
H1 H 0.8335 -0.0774 0.0586 0.070 Uiso 1 1 calc R . .
C2 C 0.8598(2) -0.1485(9) 0.0444(5) 0.073(3) Uani 1 1 d . . .
H2 H 0.8515 -0.1550 0.0121 0.088 Uiso 1 1 calc R . .
C3 C 0.8817(2) -0.1859(8) 0.0609(4) 0.059(3) Uani 1 1 d . . .
C4 C 0.8941(2) -0.1682(9) 0.1100(5) 0.065(3) Uani 1 1 d . . .
H4 H 0.9098 -0.1880 0.1232 0.078 Uiso 1 1 calc R . .
C5 C 0.8826(2) -0.1213(8) 0.1382(4) 0.062(3) Uani 1 1 d . . .
C6 C 0.8930(2) -0.1065(8) 0.1905(4) 0.057(3) Uani 1 1 d . . .
C7 C 0.9156(2) -0.1423(10) 0.2187(5) 0.077(4) Uani 1 1 d . . .
H7 H 0.9252 -0.1747 0.2042 0.093 Uiso 1 1 calc R . .
C8 C 0.9233(2) -0.1295(12) 0.2672(5) 0.081(4) Uani 1 1 d . A .
C9 C 0.9088(2) -0.0770(10) 0.2871(5) 0.079(4) Uani 1 1 d . . .
H9 H 0.9139 -0.0632 0.3195 0.095 Uiso 1 1 calc R . .
C10 C 0.8864(2) -0.0446(8) 0.2580(4) 0.061(3) Uani 1 1 d . . .
C11 C 0.8681(2) 0.0107(9) 0.2728(4) 0.065(3) Uani 1 1 d . . .
C12 C 0.84737(19) 0.0330(8) 0.2353(4) 0.058(3) Uani 1 1 d . . .
C13 C 0.8311(2) 0.0913(8) 0.2493(5) 0.066(3) Uani 1 1 d . . .
H13 H 0.8168 0.1081 0.2267 0.079 Uiso 1 1 calc R . .
C14 C 0.8358(3) 0.1254(10) 0.2967(6) 0.081(4) Uani 1 1 d . . .
H14 H 0.8248 0.1658 0.3039 0.097 Uiso 1 1 calc R . .
C15 C 0.8564(3) 0.1000(11) 0.3324(5) 0.089(4) Uani 1 1 d . . .
H15 H 0.8589 0.1204 0.3635 0.107 Uiso 1 1 calc R . .
C16 C 0.8739(2) 0.0409(10) 0.3203(5) 0.076(4) Uani 1 1 d . . .
H16 H 0.8882 0.0239 0.3429 0.091 Uiso 1 1 calc R . .
C17 C 0.8947(2) -0.2412(10) 0.0312(5) 0.078(4) Uani 1 1 d . . .
C18 C 0.8981(3) -0.3480(10) 0.0498(7) 0.103(5) Uani 1 1 d . . .
H18A H 0.8828 -0.3777 0.0448 0.155 Uiso 1 1 calc R . .
H18B H 0.9068 -0.3479 0.0832 0.155 Uiso 1 1 calc R . .
H18C H 0.9067 -0.3848 0.0330 0.155 Uiso 1 1 calc R . .
C19 C 0.8806(3) -0.2361(15) -0.0210(6) 0.118(6) Uani 1 1 d . . .
H19A H 0.8656 -0.2683 -0.0264 0.177 Uiso 1 1 calc R . .
H19B H 0.8893 -0.2682 -0.0392 0.177 Uiso 1 1 calc R . .
H19C H 0.8780 -0.1684 -0.0307 0.177 Uiso 1 1 calc R . .
C20 C 0.9179(3) -0.1921(13) 0.0376(7) 0.110(6) Uani 1 1 d . . .
H20A H 0.9272 -0.1937 0.0706 0.165 Uiso 1 1 calc R . .
H20B H 0.9152 -0.1250 0.0272 0.165 Uiso 1 1 calc R . .
H20C H 0.9262 -0.2260 0.0192 0.165 Uiso 1 1 calc R . .
C21 C 0.9477(3) -0.1700(13) 0.2951(6) 0.132(7) Uani 1 1 d D . .
C22 C 0.9426(6) -0.249(2) 0.3257(11) 0.114(11) Uiso 0.50 1 d PD A 1
H22A H 0.9320 -0.2241 0.3415 0.171 Uiso 0.50 1 calc PR A 1
H22B H 0.9572 -0.2694 0.3490 0.171 Uiso 0.50 1 calc PR A 1
H22C H 0.9354 -0.3043 0.3062 0.171 Uiso 0.50 1 calc PR A 1
C23 C 0.9604(7) -0.084(2) 0.3268(12) 0.144(15) Uiso 0.50 1 d PD A 1
H23A H 0.9511 -0.0623 0.3462 0.216 Uiso 0.50 1 calc PR A 1
H23B H 0.9623 -0.0304 0.3072 0.216 Uiso 0.50 1 calc PR A 1
H23C H 0.9757 -0.1052 0.3469 0.216 Uiso 0.50 1 calc PR A 1
C24 C 0.9638(6) -0.207(2) 0.2683(12) 0.132(14) Uiso 0.50 1 d PD A 1
H24A H 0.9671 -0.1543 0.2497 0.199 Uiso 0.50 1 calc PR A 1
H24B H 0.9561 -0.2598 0.2477 0.199 Uiso 0.50 1 calc PR A 1
H24C H 0.9784 -0.2301 0.2906 0.199 Uiso 0.50 1 calc PR A 1
C22' C 0.9521(7) -0.155(3) 0.3474(9) 0.167(18) Uiso 0.50 1 d PD A 2
H22D H 0.9394 -0.1841 0.3563 0.250 Uiso 0.50 1 calc PR A 2
H22E H 0.9529 -0.0858 0.3544 0.250 Uiso 0.50 1 calc PR A 2
H22F H 0.9668 -0.1856 0.3651 0.250 Uiso 0.50 1 calc PR A 2
C23' C 0.9676(5) -0.125(2) 0.2803(11) 0.104(10) Uiso 0.50 1 d PD A 2
H23D H 0.9641 -0.1313 0.2465 0.156 Uiso 0.50 1 calc PR A 2
H23E H 0.9822 -0.1585 0.2962 0.156 Uiso 0.50 1 calc PR A 2
H23F H 0.9692 -0.0565 0.2889 0.156 Uiso 0.50 1 calc PR A 2
C24' C 0.9482(6) -0.2823(17) 0.2855(13) 0.128(13) Uiso 0.50 1 d PD A 2
H24D H 0.9449 -0.2933 0.2520 0.193 Uiso 0.50 1 calc PR A 2
H24E H 0.9364 -0.3147 0.2960 0.193 Uiso 0.50 1 calc PR A 2
H24F H 0.9636 -0.3081 0.3025 0.193 Uiso 0.50 1 calc PR A 2
C25 C 0.8787(2) 0.2356(8) 0.2538(4) 0.060(3) Uani 1 1 d . . .
H25 H 0.8626 0.2404 0.2501 0.072 Uiso 1 1 calc R . .
C26 C 0.8953(2) 0.2529(10) 0.2988(5) 0.074(4) Uani 1 1 d . . .
H26 H 0.8898 0.2675 0.3242 0.089 Uiso 1 1 calc R . .
C27 C 0.9195(2) 0.2489(11) 0.3064(5) 0.077(4) Uani 1 1 d . . .
C28 C 0.9260(2) 0.2180(9) 0.2683(4) 0.067(3) Uani 1 1 d . . .
H28 H 0.9420 0.2072 0.2724 0.080 Uiso 1 1 calc R . .
C29 C 0.90926(19) 0.2024(8) 0.2233(4) 0.059(3) Uani 1 1 d . . .
C30 C 0.91563(17) 0.1670(8) 0.1826(4) 0.054(3) Uani 1 1 d . . .
C31 C 0.93816(19) 0.1426(9) 0.1820(4) 0.064(3) Uani 1 1 d . . .
H31 H 0.9510 0.1495 0.2097 0.077 Uiso 1 1 calc R . .
C32 C 0.94187(19) 0.1087(9) 0.1415(4) 0.059(3) Uani 1 1 d . . .
C33 C 0.92197(18) 0.0997(9) 0.0998(4) 0.064(3) Uani 1 1 d . . .
H33 H 0.9240 0.0787 0.0714 0.076 Uiso 1 1 calc R . .
C34 C 0.89970(18) 0.1222(8) 0.1017(4) 0.053(3) Uani 1 1 d . . .
C35 C 0.87727(19) 0.1161(8) 0.0624(4) 0.058(3) Uani 1 1 d . . .
C36 C 0.85639(17) 0.1454(7) 0.0715(4) 0.049(2) Uani 1 1 d . . .
C37 C 0.83590(19) 0.1364(7) 0.0356(4) 0.055(3) Uani 1 1 d . . .
H37 H 0.8219 0.1554 0.0408 0.065 Uiso 1 1 calc R . .
C38 C 0.8346(2) 0.0995(8) -0.0096(4) 0.063(3) Uani 1 1 d . . .
H38 H 0.8201 0.0937 -0.0336 0.076 Uiso 1 1 calc R . .
C39 C 0.8550(2) 0.0726(8) -0.0174(4) 0.064(3) Uani 1 1 d . . .
H39 H 0.8545 0.0486 -0.0471 0.077 Uiso 1 1 calc R . .
C40 C 0.87694(19) 0.0810(8) 0.0192(4) 0.058(3) Uani 1 1 d . . .
H40 H 0.8910 0.0627 0.0140 0.070 Uiso 1 1 calc R . .
C41 C 0.9383(3) 0.2707(15) 0.3534(6) 0.106(6) Uani 1 1 d . . .
C42 C 0.9277(3) 0.2656(16) 0.3955(5) 0.123(6) Uani 1 1 d . . .
H42A H 0.9218 0.2004 0.3975 0.184 Uiso 1 1 calc R . .
H42B H 0.9149 0.3120 0.3901 0.184 Uiso 1 1 calc R . .
H42C H 0.9398 0.2812 0.4249 0.184 Uiso 1 1 calc R . .
C43 C 0.9578(3) 0.197(2) 0.3652(6) 0.182(13) Uani 1 1 d . . .
H43A H 0.9516 0.1334 0.3693 0.274 Uiso 1 1 calc R . .
H43B H 0.9699 0.2157 0.3942 0.274 Uiso 1 1 calc R . .
H43C H 0.9646 0.1937 0.3399 0.274 Uiso 1 1 calc R . .
C44 C 0.9475(5) 0.368(2) 0.3489(9) 0.239(18) Uani 1 1 d . . .
H44A H 0.9595 0.3856 0.3781 0.358 Uiso 1 1 calc R . .
H44B H 0.9347 0.4152 0.3422 0.358 Uiso 1 1 calc R . .
H44C H 0.9542 0.3682 0.3234 0.358 Uiso 1 1 calc R . .
C45 C 0.9674(2) 0.0773(14) 0.1406(5) 0.089(4) Uani 1 1 d . . .
C46 C 0.9848(3) 0.0789(19) 0.1866(6) 0.149(9) Uani 1 1 d . . .
H46A H 0.9858 0.1441 0.1996 0.223 Uiso 1 1 calc R . .
H46B H 0.9999 0.0603 0.1840 0.223 Uiso 1 1 calc R . .
H46C H 0.9803 0.0335 0.2071 0.223 Uiso 1 1 calc R . .
C47 C 0.9659(4) -0.018(2) 0.1193(12) 0.25(2) Uani 1 1 d . . .
H47A H 0.9543 -0.0160 0.0882 0.376 Uiso 1 1 calc R . .
H47B H 0.9612 -0.0650 0.1386 0.376 Uiso 1 1 calc R . .
H47C H 0.9810 -0.0355 0.1167 0.376 Uiso 1 1 calc R . .
C48 C 0.9741(4) 0.153(2) 0.1113(11) 0.217(15) Uani 1 1 d . . .
H48A H 0.9748 0.2164 0.1263 0.325 Uiso 1 1 calc R . .
H48B H 0.9624 0.1551 0.0803 0.325 Uiso 1 1 calc R . .
H48C H 0.9893 0.1376 0.1083 0.325 Uiso 1 1 calc R . .
C49 C 0.8304(2) 0.3289(9) -0.0365(4) 0.066(3) Uani 1 1 d . . .
H49 H 0.8184 0.3373 -0.0227 0.079 Uiso 1 1 calc R . .
C50 C 0.8234(3) 0.2986(9) -0.0854(5) 0.077(4) Uani 1 1 d . . .
H50 H 0.8074 0.2950 -0.1036 0.093 Uiso 1 1 calc R . .
C51 C 0.8409(2) 0.2750(9) -0.1044(4) 0.068(3) Uani 1 1 d . . .
C52 C 0.8641(2) 0.2882(9) -0.0755(4) 0.071(3) Uani 1 1 d . . .
H52 H 0.8765 0.2714 -0.0869 0.085 Uiso 1 1 calc R . .
C53 C 0.8692(2) 0.3256(9) -0.0302(5) 0.065(3) Uani 1 1 d . . .
C54 C 0.8943(2) 0.3484(9) 0.0010(4) 0.063(3) Uani 1 1 d . . .
C55 C 0.9137(2) 0.3468(10) -0.0134(5) 0.075(4) Uani 1 1 d . . .
H55 H 0.9124 0.3269 -0.0442 0.090 Uiso 1 1 calc R . .
C56 C 0.9358(2) 0.3752(10) 0.0179(5) 0.074(4) Uani 1 1 d . . .
C57 C 0.9368(2) 0.3918(9) 0.0646(5) 0.075(4) Uani 1 1 d . . .
H57 H 0.9514 0.4071 0.0868 0.091 Uiso 1 1 calc R . .
C58 C 0.91713(19) 0.3868(8) 0.0796(5) 0.059(3) Uani 1 1 d . . .
C59 C 0.91447(19) 0.4102(8) 0.1253(4) 0.056(3) Uani 1 1 d . . .
C60 C 0.89133(18) 0.4184(7) 0.1269(4) 0.049(3) Uani 1 1 d . . .
C61 C 0.8896(2) 0.4387(9) 0.1713(5) 0.073(3) Uani 1 1 d . . .
H61 H 0.8745 0.4446 0.1740 0.087 Uiso 1 1 calc R . .
C62 C 0.9086(2) 0.4507(12) 0.2120(5) 0.087(4) Uani 1 1 d . . .
H62 H 0.9060 0.4634 0.2408 0.105 Uiso 1 1 calc R . .
C63 C 0.9304(3) 0.4445(12) 0.2106(5) 0.090(5) Uani 1 1 d . . .
H63 H 0.9433 0.4534 0.2379 0.108 Uiso 1 1 calc R . .
C64 C 0.9336(2) 0.4237(11) 0.1665(5) 0.082(4) Uani 1 1 d . . .
H64 H 0.9490 0.4189 0.1649 0.099 Uiso 1 1 calc R . .
C65 C 0.8338(3) 0.2350(11) -0.1555(5) 0.094(5) Uani 1 1 d . . .
C66 C 0.8236(4) 0.1369(13) -0.1555(6) 0.147(9) Uani 1 1 d . . .
H66A H 0.8351 0.0946 -0.1343 0.220 Uiso 1 1 calc R . .
H66B H 0.8190 0.1102 -0.1871 0.220 Uiso 1 1 calc R . .
H66C H 0.8099 0.1416 -0.1450 0.220 Uiso 1 1 calc R . .
C67 C 0.8553(4) 0.2230(19) -0.1717(7) 0.162(10) Uani 1 1 d . . .
H67A H 0.8623 0.2863 -0.1727 0.243 Uiso 1 1 calc R . .
H67B H 0.8506 0.1940 -0.2029 0.243 Uiso 1 1 calc R . .
H67C H 0.8667 0.1810 -0.1498 0.243 Uiso 1 1 calc R . .
C68 C 0.8165(3) 0.3050(13) -0.1884(5) 0.113(6) Uani 1 1 d . . .
H68A H 0.8238 0.3687 -0.1867 0.170 Uiso 1 1 calc R . .
H68B H 0.8025 0.3101 -0.1792 0.170 Uiso 1 1 calc R . .
H68C H 0.8124 0.2807 -0.2205 0.170 Uiso 1 1 calc R . .
C69 C 0.9574(3) 0.3905(12) 0.0029(6) 0.106(5) Uani 1 1 d D . .
C70 C 0.9819(4) 0.3702(19) 0.0414(10) 0.213(13) Uiso 1 1 d D . .
H70A H 0.9944 0.3827 0.0281 0.319 Uiso 1 1 calc R . .
H70B H 0.9826 0.3028 0.0515 0.319 Uiso 1 1 calc R . .
H70C H 0.9838 0.4128 0.0682 0.319 Uiso 1 1 calc R . .
C71 C 0.9542(6) 0.316(2) -0.0389(10) 0.278(19) Uiso 1 1 d D . .
H71A H 0.9675 0.3214 -0.0506 0.416 Uiso 1 1 calc R . .
H71B H 0.9399 0.3309 -0.0641 0.416 Uiso 1 1 calc R . .
H71C H 0.9534 0.2503 -0.0277 0.416 Uiso 1 1 calc R . .
C72 C 0.9570(6) 0.4986(18) -0.0156(11) 0.241(16) Uiso 1 1 d D . .
H72A H 0.9708 0.5095 -0.0253 0.361 Uiso 1 1 calc R . .
H72B H 0.9572 0.5438 0.0094 0.361 Uiso 1 1 calc R . .
H72C H 0.9429 0.5088 -0.0422 0.361 Uiso 1 1 calc R . .
C73 C 0.80337(19) 0.1479(8) 0.1114(4) 0.059(3) Uani 1 1 d . . .
H73A H 0.7893 0.1715 0.1181 0.071 Uiso 1 1 calc R . .
H73B H 0.7994 0.1453 0.0771 0.071 Uiso 1 1 calc R . .
C74 C 0.81470(18) 0.3343(7) 0.0841(4) 0.052(3) Uani 1 1 d . . .
H74A H 0.8099 0.2978 0.0544 0.063 Uiso 1 1 calc R . .
H74B H 0.8003 0.3617 0.0879 0.063 Uiso 1 1 calc R . .
C75 C 0.79554(18) -0.0532(7) 0.0794(4) 0.055(3) Uani 1 1 d . . .
C76 C 0.7966(2) -0.1564(9) 0.0856(5) 0.086(5) Uani 1 1 d . . .
H76 H 0.8037 -0.1817 0.1160 0.103 Uiso 1 1 calc R . .
C77 C 0.7878(3) -0.2197(11) 0.0494(7) 0.104(5) Uani 1 1 d . . .
H77 H 0.7892 -0.2874 0.0542 0.125 Uiso 1 1 calc R . .
C78 C 0.7764(3) -0.1799(11) 0.0037(6) 0.099(5) Uani 1 1 d . . .
H78 H 0.7698 -0.2218 -0.0219 0.118 Uiso 1 1 calc R . .
C79 C 0.7750(3) -0.0806(12) -0.0031(5) 0.095(5) Uani 1 1 d . . .
H79 H 0.7681 -0.0546 -0.0334 0.114 Uiso 1 1 calc R . .
C80 C 0.7838(2) -0.0193(9) 0.0355(5) 0.076(4) Uani 1 1 d . . .
H80 H 0.7816 0.0482 0.0311 0.091 Uiso 1 1 calc R . .
C81 C 0.7869(2) -0.0041(9) 0.1648(5) 0.066(3) Uani 1 1 d . . .
C82 C 0.7916(2) -0.0736(11) 0.1990(6) 0.096(5) Uani 1 1 d . . .
H82 H 0.8069 -0.0999 0.2102 0.115 Uiso 1 1 calc R . .
C83 C 0.7750(4) -0.1060(17) 0.2176(8) 0.162(11) Uani 1 1 d . . .
H83 H 0.7780 -0.1582 0.2390 0.194 Uiso 1 1 calc R . .
C84 C 0.7521(3) -0.057(2) 0.2028(9) 0.179(13) Uani 1 1 d . . .
H84 H 0.7408 -0.0734 0.2172 0.215 Uiso 1 1 calc R . .
C85 C 0.7471(3) 0.0126(15) 0.1687(8) 0.124(7) Uani 1 1 d . . .
H85 H 0.7323 0.0433 0.1588 0.149 Uiso 1 1 calc R . .
C86 C 0.7644(2) 0.0368(10) 0.1489(5) 0.081(4) Uani 1 1 d . . .
H86 H 0.7609 0.0821 0.1241 0.098 Uiso 1 1 calc R . .
C87 C 0.8193(2) 0.3037(8) 0.1812(4) 0.062(3) Uani 1 1 d . . .
C88 C 0.8356(2) 0.3675(9) 0.2109(4) 0.069(3) Uani 1 1 d . . .
H88 H 0.8504 0.3755 0.2072 0.082 Uiso 1 1 calc R . .
C89 C 0.8299(4) 0.4202(11) 0.2465(6) 0.099(5) Uani 1 1 d . . .
H89 H 0.8405 0.4672 0.2641 0.119 Uiso 1 1 calc R . .
C90 C 0.8095(4) 0.4044(15) 0.2559(8) 0.125(7) Uani 1 1 d . . .
H90 H 0.8066 0.4325 0.2822 0.150 Uiso 1 1 calc R . .
C91 C 0.7938(4) 0.3473(17) 0.2262(8) 0.136(8) Uani 1 1 d . . .
H91 H 0.7788 0.3440 0.2296 0.163 Uiso 1 1 calc R . .
C92 C 0.7977(3) 0.2909(11) 0.1899(7) 0.098(5) Uani 1 1 d . . .
H92 H 0.7864 0.2467 0.1722 0.117 Uiso 1 1 calc R . .
C93 C 0.8134(2) 0.4972(7) 0.0229(5) 0.063(3) Uani 1 1 d . . .
C94 C 0.7895(2) 0.4878(9) 0.0049(5) 0.073(4) Uani 1 1 d . . .
H94 H 0.7816 0.4473 0.0203 0.087 Uiso 1 1 calc R . .
C95 C 0.7769(3) 0.5364(11) -0.0350(6) 0.094(5) Uani 1 1 d . . .
H95 H 0.7605 0.5288 -0.0461 0.113 Uiso 1 1 calc R . .
C96 C 0.7877(3) 0.5982(12) -0.0605(6) 0.108(6) Uani 1 1 d . . .
H96 H 0.7790 0.6289 -0.0887 0.129 Uiso 1 1 calc R . .
C97 C 0.8114(3) 0.6100(11) -0.0412(6) 0.103(5) Uani 1 1 d . . .
H97 H 0.8193 0.6526 -0.0556 0.124 Uiso 1 1 calc R . .
C98 C 0.8241(3) 0.5605(11) -0.0008(6) 0.097(5) Uani 1 1 d . . .
H98 H 0.8405 0.5697 0.0112 0.116 Uiso 1 1 calc R . .
C99 C 0.8322(2) 0.5314(7) 0.1210(4) 0.060(3) Uani 1 1 d . . .
C100 C 0.8135(3) 0.5424(9) 0.1369(5) 0.082(4) Uani 1 1 d . . .
H100 H 0.8005 0.5004 0.1268 0.098 Uiso 1 1 calc R . .
C101 C 0.8141(4) 0.6189(11) 0.1691(6) 0.102(6) Uani 1 1 d . . .
H101 H 0.8018 0.6258 0.1819 0.122 Uiso 1 1 calc R . .
C102 C 0.8330(5) 0.6842(11) 0.1821(6) 0.119(7) Uani 1 1 d . . .
H102 H 0.8332 0.7355 0.2031 0.143 Uiso 1 1 calc R . .
C103 C 0.8505(4) 0.6736(11) 0.1649(6) 0.098(5) Uani 1 1 d . . .
H103 H 0.8633 0.7167 0.1744 0.117 Uiso 1 1 calc R . .
C104 C 0.8504(3) 0.5997(8) 0.1328(5) 0.077(4) Uani 1 1 d . . .
H104 H 0.8625 0.5960 0.1192 0.092 Uiso 1 1 calc R . .
N7 N 0.9507(6) 0.724(3) 0.1601(12) 0.259(14) Uiso 1 1 d . . .
N8 N 0.8113(5) 0.862(2) -0.0980(12) 0.249(12) Uiso 1 1 d . . .
N9 N 0.9857(6) -0.262(3) 0.0607(13) 0.269(14) Uiso 1 1 d . . .
C105 C 0.9665(7) 0.662(3) 0.1607(13) 0.205(12) Uiso 1 1 d . . .
C106 C 0.9843(6) 0.605(2) 0.1504(12) 0.199(12) Uiso 1 1 d . . .
C107 C 0.7835(7) 0.840(3) -0.1430(14) 0.228(14) Uiso 1 1 d . . .
C108 C 0.7584(9) 0.865(4) -0.1867(19) 0.32(2) Uiso 1 1 d . . .
C109 C 0.9830(6) -0.189(3) 0.0289(14) 0.222(14) Uiso 1 1 d . . .
C110 C 0.9885(8) -0.105(3) 0.0060(18) 0.29(2) Uiso 1 1 d . . .
Cl1 Cl 0.92078(12) 0.0562(4) -0.05864(18) 0.144(2) Uani 1 1 d D . .
Cl2 Cl 0.76248(8) 0.1963(4) -0.0669(2) 0.151(2) Uani 1 1 d D . .
Cl3 Cl 1.0000 0.3508(8) 0.2500 0.307(11) Uani 1 2 d SD . .
Cl4 Cl 0.8644(2) 0.5558(7) -0.1167(3) 0.159(5) Uani 0.50 1 d PD . .
O1 O 0.9326(4) 0.0737(15) -0.0124(6) 0.270(11) Uiso 1 1 d D . .
O2 O 0.9104(3) 0.1400(11) -0.0837(6) 0.179(6) Uiso 1 1 d D . .
O3 O 0.9346(3) 0.0126(13) -0.0826(7) 0.238(10) Uiso 1 1 d D . .
O4 O 0.9016(3) -0.0108(13) -0.0626(8) 0.266(12) Uiso 1 1 d D . .
O5' O 0.7631(5) 0.190(2) -0.1183(8) 0.184(14) Uiso 0.50 1 d PD . .
O5 O 0.7743(5) 0.1103(16) -0.0871(9) 0.158(11) Uiso 0.50 1 d PD . .
O6' O 0.7513(5) 0.2961(18) -0.0621(11) 0.216(17) Uiso 0.50 1 d PD . .
O6 O 0.7795(4) 0.2198(15) -0.0154(7) 0.108(7) Uiso 0.50 1 d PD . .
O7' O 0.7861(4) 0.1877(18) -0.0317(8) 0.138(10) Uiso 0.50 1 d PD . .
O7 O 0.7378(4) 0.164(2) -0.0649(11) 0.30(3) Uiso 0.50 1 d PD . .
O8' O 0.7457(4) 0.1169(19) -0.0610(9) 0.160(12) Uiso 0.50 1 d PD . .
O8 O 0.7600(5) 0.2871(16) -0.0996(8) 0.172(12) Uiso 0.50 1 d PD . .
O9 O 0.9798(3) 0.2957(11) 0.2522(6) 0.167(6) Uiso 1 1 d D . .
O10 O 0.9999(10) 0.429(3) 0.2184(16) 0.51(3) Uiso 1 1 d D . .
O11 O 0.8405(4) 0.540(2) -0.1255(12) 0.210(16) Uiso 0.50 1 d PD . .
O12 O 0.8717(4) 0.4919(16) -0.1446(9) 0.140(9) Uiso 0.50 1 d PD . .
O13 O 0.8668(5) 0.6482(16) -0.1302(9) 0.156(10) Uiso 0.50 1 d PD . .
O14 O 0.8756(6) 0.540(2) -0.0714(8) 0.30(3) Uiso 0.50 1 d PD . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Pt Pt -1.7033 8.3905 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 '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'
O O 0.0106 0.0060 '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'
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
C12 Pt1 N2 80.4(4) . .
C12 Pt1 N1 157.8(4) . .
N2 Pt1 N1 77.4(4) . .
C12 Pt1 P1 97.1(3) . .
N2 Pt1 P1 174.7(3) . .
N1 Pt1 P1 105.1(2) . .
C12 Pt1 Pt2 92.9(3) . .
N2 Pt1 Pt2 94.1(3) . .
N1 Pt1 Pt2 88.0(2) . .
P1 Pt1 Pt2 90.73(7) . .
N4 Pt2 C36 80.3(4) . .
N4 Pt2 N3 76.7(3) . .
C36 Pt2 N3 156.8(3) . .
N4 Pt2 P2 172.7(3) . .
C36 Pt2 P2 95.1(3) . .
N3 Pt2 P2 108.0(2) . .
N4 Pt2 Pt1 100.4(2) . .
C36 Pt2 Pt1 92.5(3) . .
N3 Pt2 Pt1 88.5(2) . .
P2 Pt2 Pt1 85.45(7) . .
N6 Pt3 C60 80.2(4) . .
N6 Pt3 N5 77.5(3) . .
C60 Pt3 N5 157.6(4) . .
N6 Pt3 P3 171.5(3) . .
C60 Pt3 P3 102.9(3) . .
N5 Pt3 P3 99.4(3) . .
C73 P1 C75 103.6(5) . .
C73 P1 C81 106.9(5) . .
C75 P1 C81 100.1(5) . .
C73 P1 Pt1 115.0(4) . .
C75 P1 Pt1 113.1(3) . .
C81 P1 Pt1 116.4(4) . .
C87 P2 C73 104.9(6) . .
C87 P2 C74 100.5(5) . .
C73 P2 C74 98.3(5) . .
C87 P2 Pt2 121.3(4) . .
C73 P2 Pt2 114.5(4) . .
C74 P2 Pt2 114.2(3) . .
C74 P3 C93 103.4(5) . .
C74 P3 C99 107.9(5) . .
C93 P3 C99 99.3(5) . .
C74 P3 Pt3 113.4(4) . .
C93 P3 Pt3 108.8(4) . .
C99 P3 Pt3 121.7(4) . .
C1 N1 C5 116.8(10) . .
C1 N1 Pt1 130.4(7) . .
C5 N1 Pt1 112.8(7) . .
C6 N2 C10 121.4(9) . .
C6 N2 Pt1 120.2(8) . .
C10 N2 Pt1 118.2(8) . .
C25 N3 C29 118.0(10) . .
C25 N3 Pt2 129.6(7) . .
C29 N3 Pt2 112.4(7) . .
C34 N4 C30 122.4(9) . .
C34 N4 Pt2 117.9(7) . .
C30 N4 Pt2 119.5(7) . .
C49 N5 C53 115.6(10) . .
C49 N5 Pt3 130.8(8) . .
C53 N5 Pt3 113.4(7) . .
C54 N6 C58 121.6(10) . .
C54 N6 Pt3 120.1(7) . .
C58 N6 Pt3 117.1(7) . .
N1 C1 C2 122.4(10) . .
C3 C2 C1 123.5(12) . .
C2 C3 C4 115.8(11) . .
C2 C3 C17 125.8(12) . .
C4 C3 C17 118.3(11) . .
C5 C4 C3 119.9(11) . .
N1 C5 C4 121.5(11) . .
N1 C5 C6 114.0(11) . .
C4 C5 C6 124.5(11) . .
N2 C6 C7 119.8(11) . .
N2 C6 C5 115.5(10) . .
C7 C6 C5 124.7(11) . .
C8 C7 C6 120.7(12) . .
C7 C8 C9 117.8(11) . .
C7 C8 C21 117.7(13) . .
C9 C8 C21 124.5(12) . .
C8 C9 C10 119.6(13) . .
N2 C10 C9 120.6(12) . .
N2 C10 C11 111.7(10) . .
C9 C10 C11 127.7(12) . .
C16 C11 C12 127.3(12) . .
C16 C11 C10 118.3(11) . .
C12 C11 C10 114.2(11) . .
C11 C12 C13 113.4(11) . .
C11 C12 Pt1 115.2(9) . .
C13 C12 Pt1 131.3(9) . .
C12 C13 C14 122.5(12) . .
C15 C14 C13 121.6(13) . .
C14 C15 C16 118.6(13) . .
C11 C16 C15 116.6(13) . .
C20 C17 C19 107.5(14) . .
C20 C17 C3 108.8(12) . .
C19 C17 C3 110.3(12) . .
C20 C17 C18 111.6(13) . .
C19 C17 C18 112.1(13) . .
C3 C17 C18 106.6(12) . .
C22 C21 C22' 58.2(15) . .
C22 C21 C24 111.4(14) . .
C22' C21 C24 131(3) . .
C22 C21 C23' 142(2) . .
C22' C21 C23' 110.4(14) . .
C24 C21 C23' 45.5(13) . .
C22 C21 C8 104.2(18) . .
C22' C21 C8 109(2) . .
C24 C21 C8 119(2) . .
C23' C21 C8 113.2(18) . .
C22 C21 C23 109.2(14) . .
C22' C21 C23 51.4(15) . .
C24 C21 C23 107.8(13) . .
C23' C21 C23 66.1(14) . .
C8 C21 C23 105(2) . .
C22 C21 C24' 55.0(14) . .
C22' C21 C24' 108.3(14) . .
C24 C21 C24' 61.7(14) . .
C23' C21 C24' 106.4(13) . .
C8 C21 C24' 108.9(19) . .
C23 C21 C24' 145(2) . .
N3 C25 C26 121.7(11) . .
C27 C26 C25 121.8(12) . .
C28 C27 C26 115.5(12) . .
C28 C27 C41 119.7(13) . .
C26 C27 C41 124.6(13) . .
C27 C28 C29 121.7(12) . .
N3 C29 C28 120.9(12) . .
N3 C29 C30 116.0(9) . .
C28 C29 C30 122.9(11) . .
N4 C30 C31 118.6(10) . .
N4 C30 C29 114.7(9) . .
C31 C30 C29 126.6(10) . .
C32 C31 C30 121.2(10) . .
C31 C32 C33 118.1(10) . .
C31 C32 C45 121.9(10) . .
C33 C32 C45 119.9(11) . .
C34 C33 C32 119.4(11) . .
N4 C34 C33 120.1(10) . .
N4 C34 C35 113.1(9) . .
C33 C34 C35 126.8(11) . .
C40 C35 C36 121.9(10) . .
C40 C35 C34 120.3(10) . .
C36 C35 C34 117.8(11) . .
C37 C36 C35 117.0(11) . .
C37 C36 Pt2 132.1(8) . .
C35 C36 Pt2 110.8(7) . .
C36 C37 C38 123.1(11) . .
C39 C38 C37 118.6(11) . .
C38 C39 C40 120.2(11) . .
C35 C40 C39 119.1(10) . .
C44 C41 C43 111(2) . .
C44 C41 C27 106.4(17) . .
C43 C41 C27 112.2(14) . .
C44 C41 C42 111.7(19) . .
C43 C41 C42 105.2(17) . .
C27 C41 C42 110.9(13) . .
C46 C45 C47 111.4(19) . .
C46 C45 C48 107.7(18) . .
C47 C45 C48 111(2) . .
C46 C45 C32 112.7(14) . .
C47 C45 C32 108.8(13) . .
C48 C45 C32 104.9(15) . .
N5 C49 C50 125.0(13) . .
C51 C50 C49 118.0(13) . .
C50 C51 C52 116.9(12) . .
C50 C51 C65 118.7(13) . .
C52 C51 C65 124.4(13) . .
C53 C52 C51 121.2(12) . .
N5 C53 C52 122.9(11) . .
N5 C53 C54 114.6(11) . .
C52 C53 C54 122.5(11) . .
N6 C54 C55 121.6(11) . .
N6 C54 C53 113.0(10) . .
C55 C54 C53 125.3(12) . .
C54 C55 C56 120.0(13) . .
C57 C56 C55 116.4(12) . .
C57 C56 C69 120.2(13) . .
C55 C56 C69 123.4(14) . .
C58 C57 C56 122.8(12) . .
N6 C58 C57 117.2(12) . .
N6 C58 C59 112.2(9) . .
C57 C58 C59 130.3(12) . .
C64 C59 C60 119.9(11) . .
C64 C59 C58 123.2(11) . .
C60 C59 C58 116.8(10) . .
C61 C60 C59 114.9(10) . .
C61 C60 Pt3 131.8(9) . .
C59 C60 Pt3 113.2(8) . .
C62 C61 C60 124.7(13) . .
C63 C62 C61 120.7(15) . .
C62 C63 C64 118.1(13) . .
C59 C64 C63 121.7(12) . .
C66 C65 C68 112.2(15) . .
C66 C65 C67 107.1(17) . .
C68 C65 C67 109.3(16) . .
C66 C65 C51 107.9(13) . .
C68 C65 C51 109.5(13) . .
C67 C65 C51 110.8(14) . .
C56 C69 C70 116.6(18) . .
C56 C69 C71 104.4(19) . .
C70 C69 C71 108.2(13) . .
C56 C69 C72 108.5(19) . .
C70 C69 C72 109.0(13) . .
C71 C69 C72 110.0(14) . .
P1 C73 P2 121.0(6) . .
P3 C74 P2 121.5(6) . .
C80 C75 C76 116.9(11) . .
C80 C75 P1 126.6(9) . .
C76 C75 P1 116.3(9) . .
C77 C76 C75 122.8(14) . .
C76 C77 C78 117.8(15) . .
C79 C78 C77 120.5(14) . .
C78 C79 C80 119.1(15) . .
C75 C80 C79 122.7(13) . .
C82 C81 C86 119.2(12) . .
C82 C81 P1 119.8(11) . .
C86 C81 P1 120.2(10) . .
C81 C82 C83 121.9(15) . .
C82 C83 C84 117.7(15) . .
C85 C84 C83 120.8(16) . .
C84 C85 C86 118.0(16) . .
C85 C86 C81 122.0(14) . .
C88 C87 C92 117.2(13) . .
C88 C87 P2 119.7(10) . .
C92 C87 P2 123.1(10) . .
C87 C88 C89 120.8(14) . .
C90 C89 C88 121.5(16) . .
C91 C90 C89 116.6(17) . .
C90 C91 C92 125.8(17) . .
C91 C92 C87 117.3(14) . .
C94 C93 C98 117.0(12) . .
C94 C93 P3 125.5(10) . .
C98 C93 P3 117.5(10) . .
C95 C94 C93 120.9(14) . .
C94 C95 C96 122.8(14) . .
C97 C96 C95 115.7(14) . .
C96 C97 C98 121.4(15) . .
C97 C98 C93 122.2(14) . .
C100 C99 C104 120.2(12) . .
C100 C99 P3 121.6(10) . .
C104 C99 P3 117.7(10) . .
C99 C100 C101 118.3(15) . .
C102 C101 C100 120.5(16) . .
C103 C102 C101 119.8(15) . .
C102 C103 C104 121.3(17) . .
C103 C104 C99 119.7(15) . .
N7 C105 C106 165(4) . .
C108 C107 N8 158(3) . .
N9 C109 C110 160(4) . .
O1 Cl1 O3 113.4(10) . .
O1 Cl1 O2 113.4(9) . .
O3 Cl1 O2 108.2(9) . .
O1 Cl1 O4 109.7(10) . .
O3 Cl1 O4 105.9(9) . .
O2 Cl1 O4 105.7(9) . .
O7' Cl2 O8' 112.3(10) . .
O7' Cl2 O6' 110.6(10) . .
O8' Cl2 O6' 107.3(10) . .
O7' Cl2 O5' 112.4(10) . .
O8' Cl2 O5' 107.2(10) . .
O6' Cl2 O5' 106.8(10) . .
O7' Cl2 O8 112.8(14) . .
O8' Cl2 O8 134.8(14) . .
O6' Cl2 O8 52.8(13) . .
O5' Cl2 O8 56.9(12) . .
O7' Cl2 O7 131.0(15) . .
O8' Cl2 O7 29.2(16) . .
O6' Cl2 O7 78.9(16) . .
O5' Cl2 O7 109.8(16) . .
O8 Cl2 O7 110.5(10) . .
O7' Cl2 O6 31.7(11) . .
O8' Cl2 O6 106.1(14) . .
O6' Cl2 O6 84.1(12) . .
O5' Cl2 O6 139.7(13) . .
O8 Cl2 O6 110.5(9) . .
O7 Cl2 O6 110.3(10) . .
O7' Cl2 O5 76.6(12) . .
O8' Cl2 O5 84.6(14) . .
O6' Cl2 O5 161.3(14) . .
O5' Cl2 O5 55.0(12) . .
O8 Cl2 O5 108.5(9) . .
O7 Cl2 O5 110.0(10) . .
O6 Cl2 O5 106.9(9) . .
O10 Cl3 O10 82(4) 2_755 .
O10 Cl3 O9 101(2) 2_755 .
O10 Cl3 O9 126(2) . .
O10 Cl3 O9 126(2) 2_755 2_755
O10 Cl3 O9 101(2) . 2_755
O9 Cl3 O9 117.2(16) . 2_755
O14 Cl4 O13 113.2(12) . .
O14 Cl4 O12 111.1(12) . .
O13 Cl4 O12 109.4(11) . .
O14 Cl4 O11 108.8(12) . .
O13 Cl4 O11 106.9(11) . .
O12 Cl4 O11 107.2(11) . .
O5 O5' O8 121(2) . .
O5 O5' Cl2 63.8(13) . .
O8 O5' Cl2 61.9(12) . .
O5' O5 Cl2 61.1(12) . .
O8 O6' Cl2 64.0(13) . .
O7' O6 Cl2 67(2) . .
O6 O7' Cl2 81(2) . .
O8' O7 Cl2 73(2) . .
O7 O8' Cl2 78(2) . .
O6' O8 O5' 121(2) . .
O6' O8 Cl2 63.2(14) . .
O5' O8 Cl2 61.3(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C12 1.974(12) .
Pt1 N2 2.008(8) .
Pt1 N1 2.172(9) .
Pt1 P1 2.254(3) .
Pt1 Pt2 3.2170(8) .
Pt2 N4 2.027(8) .
Pt2 C36 2.075(11) .
Pt2 N3 2.200(9) .
Pt2 P2 2.264(3) .
Pt3 N6 2.011(9) .
Pt3 C60 2.020(10) .
Pt3 N5 2.158(9) .
Pt3 P3 2.253(3) .
P1 C73 1.830(10) .
P1 C75 1.834(12) .
P1 C81 1.842(13) .
P2 C87 1.819(13) .
P2 C73 1.839(11) .
P2 C74 1.869(10) .
P3 C74 1.802(10) .
P3 C93 1.827(12) .
P3 C99 1.851(12) .
N1 C1 1.348(14) .
N1 C5 1.382(14) .
N2 C6 1.316(14) .
N2 C10 1.340(15) .
N3 C25 1.330(14) .
N3 C29 1.371(13) .
N4 C34 1.333(14) .
N4 C30 1.360(12) .
N5 C49 1.307(14) .
N5 C53 1.357(15) .
N6 C54 1.329(15) .
N6 C58 1.364(14) .
C1 C2 1.368(17) .
C2 C3 1.335(16) .
C3 C4 1.429(17) .
C3 C17 1.540(17) .
C4 C5 1.391(17) .
C5 C6 1.487(16) .
C6 C7 1.421(16) .
C7 C8 1.373(19) .
C8 C9 1.384(19) .
C8 C21 1.526(19) .
C9 C10 1.409(16) .
C10 C11 1.496(17) .
C11 C16 1.398(18) .
C11 C12 1.405(16) .
C12 C13 1.411(16) .
C13 C14 1.419(19) .
C14 C15 1.38(2) .
C15 C16 1.444(19) .
C17 C20 1.484(19) .
C17 C19 1.51(2) .
C17 C18 1.54(2) .
C21 C22 1.497(18) .
C21 C22' 1.503(19) .
C21 C24 1.508(18) .
C21 C23' 1.515(18) .
C21 C23 1.539(19) .
C21 C24' 1.553(18) .
C25 C26 1.401(16) .
C26 C27 1.384(17) .
C27 C28 1.372(18) .
C27 C41 1.514(19) .
C28 C29 1.404(15) .
C29 C30 1.456(16) .
C30 C31 1.384(14) .
C31 C32 1.367(16) .
C32 C33 1.419(15) .
C32 C45 1.585(17) .
C33 C34 1.376(15) .
C34 C35 1.466(14) .
C35 C40 1.360(16) .
C35 C36 1.408(15) .
C36 C37 1.344(13) .
C37 C38 1.410(16) .
C38 C39 1.352(16) .
C39 C40 1.412(15) .
C41 C44 1.45(3) .
C41 C43 1.49(3) .
C41 C42 1.57(2) .
C45 C46 1.42(2) .
C45 C47 1.42(3) .
C45 C48 1.48(3) .
C49 C50 1.435(17) .
C50 C51 1.371(19) .
C51 C52 1.383(17) .
C51 C65 1.534(18) .
C52 C53 1.378(17) .
C53 C54 1.516(16) .
C54 C55 1.352(16) .
C55 C56 1.396(17) .
C56 C57 1.385(19) .
C56 C69 1.50(2) .
C57 C58 1.376(17) .
C58 C59 1.448(17) .
C59 C64 1.392(17) .
C59 C60 1.395(15) .
C60 C61 1.381(17) .
C61 C62 1.375(17) .
C62 C63 1.308(19) .
C63 C64 1.41(2) .
C65 C66 1.46(2) .
C65 C68 1.51(2) .
C65 C67 1.51(2) .
C69 C70 1.56(2) .
C69 C71 1.56(2) .
C69 C72 1.57(2) .
C75 C80 1.346(17) .
C75 C76 1.413(16) .
C76 C77 1.344(19) .
C77 C78 1.41(2) .
C78 C79 1.36(2) .
C79 C80 1.376(18) .
C81 C82 1.348(17) .
C81 C86 1.381(16) .
C82 C83 1.35(2) .
C83 C84 1.45(3) .
C84 C85 1.34(2) .
C85 C86 1.38(2) .
C87 C88 1.384(16) .
C87 C92 1.398(17) .
C88 C89 1.403(19) .
C89 C90 1.34(2) .
C90 C91 1.31(2) .
C91 C92 1.40(2) .
C93 C94 1.357(16) .
C93 C98 1.385(18) .
C94 C95 1.352(18) .
C95 C96 1.41(2) .
C96 C97 1.35(2) .
C97 C98 1.37(2) .
C99 C100 1.347(18) .
C99 C104 1.381(16) .
C100 C101 1.403(19) .
C101 C102 1.39(3) .
C102 C103 1.30(3) .
C103 C104 1.38(2) .
N7 C105 1.26(4) .
N8 C107 1.79(4) .
N9 C109 1.34(4) .
C105 C106 1.42(4) .
C107 C108 1.67(5) .
C109 C110 1.42(5) .
Cl1 O1 1.347(15) .
Cl1 O3 1.380(15) .
Cl1 O2 1.391(14) .
Cl1 O4 1.433(15) .
Cl2 O7' 1.46(2) .
Cl2 O8' 1.52(2) .
Cl2 O6' 1.53(2) .
Cl2 O5' 1.54(2) .
Cl2 O8 1.546(18) .
Cl2 O7 1.548(19) .
Cl2 O6 1.570(17) .
Cl2 O5 1.576(18) .
Cl3 O10 1.417(19) 2_755
Cl3 O10 1.417(19) .
Cl3 O9 1.435(14) .
Cl3 O9 1.435(14) 2_755
Cl4 O14 1.31(2) .
Cl4 O13 1.34(2) .
Cl4 O12 1.36(2) .
Cl4 O11 1.38(2) .
O5' O5 1.44(3) .
O5' O8 1.47(3) .
O6' O8 1.37(3) .
O6 O7' 0.84(3) .
O7 O8' 0.77(4) .
