#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:30:59 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179974 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/68/7026895.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_7026895
loop_
_publ_author_name
'Haghighi, Mohsen Golbon'
'Rashidi, Mehdi'
'Nabavizadeh, S. Masoud'
'Jamali, Sirous'
'Puddephatt, Richard J.'
_publ_section_title
;
 Cyclometalated organoplatinum(II) complexes: first example of a
 monodentate benzo[h]quinolyl ligand and a complex with bridging
 bis(diphenylphosphino)ethane.
;
_journal_issue                   47
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11396
_journal_page_last               11402
_journal_paper_doi               10.1039/c0dt00855a
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         '3(C62 H54 N2 P2 Pt2), 2(C H2 Cl2)'
_chemical_formula_sum            'C62.67 H55.33 Cl1.33 N2 P2 Pt2'
_chemical_formula_weight         1335.81
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 105.626(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            6
_cell_length_a                   14.4438(5)
_cell_length_b                   33.6884(12)
_cell_length_c                   17.0228(6)
_cell_measurement_reflns_used    9710
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.23
_cell_measurement_theta_min      2.20
_cell_volume                     7977.0(5)
_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-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0811
_diffrn_reflns_av_sigmaI/netI    0.0289
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       46
_diffrn_reflns_limit_k_min       -46
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            432171
_diffrn_reflns_theta_full        29.57
_diffrn_reflns_theta_max         29.57
_diffrn_reflns_theta_min         1.38
_exptl_absorpt_coefficient_mu    5.425
_exptl_absorpt_correction_T_max  0.8763
_exptl_absorpt_correction_T_min  0.7367
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.668
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3924
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.055
_refine_diff_density_min         -0.887
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     949
_refine_ls_number_reflns         22381
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0410
_refine_ls_R_factor_gt           0.0250
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0126P)²+10.2314P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0438
_refine_ls_wR_factor_ref         0.0484
_reflns_number_gt                18106
_reflns_number_total             22381
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00855a.txt
_cod_data_source_block           5b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7026895
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Pt1 Pt 0.636402(7) 0.241367(3) 0.821168(6) 0.01785(2) Uani 1 1 d .
Pt2 Pt 0.399649(7) 0.095841(3) 1.117066(6) 0.01929(3) Uani 1 1 d .
Pt3 Pt 0.584375(7) 0.592115(3) 0.867198(6) 0.01804(2) Uani 1 1 d .
Cl1 Cl 0.72262(11) 0.54143(4) 0.64961(10) 0.0901(4) Uani 1 1 d .
Cl2 Cl 0.84006(11) 0.56266(6) 0.81110(9) 0.1018(5) Uani 1 1 d .
P1 P 0.62755(5) 0.21241(2) 0.94263(4) 0.01852(14) Uani 1 1 d .
P2 P 0.41971(5) 0.12240(2) 0.99704(4) 0.02017(14) Uani 1 1 d .
P3 P 0.57816(5) 0.55601(2) 0.98107(4) 0.01883(14) Uani 1 1 d .
N1 N 0.26226(17) 0.06929(7) 1.07242(15) 0.0231(5) Uani 1 1 d .
N2 N 0.75148(17) 0.28071(7) 0.86882(14) 0.0216(5) Uani 1 1 d .
N3 N 0.69328(17) 0.63340(7) 0.92329(14) 0.0223(5) Uani 1 1 d .
C1 C 0.5267(2) 0.20738(9) 0.75855(17) 0.0233(6) Uani 1 1 d .
C2 C 0.5423(2) 0.17229(9) 0.72014(18) 0.0293(7) Uani 1 1 d .
H2 H 0.6065 0.1640 0.7250 0.035 Uiso 1 1 calc R
C3 C 0.4667(3) 0.14913(11) 0.6749(2) 0.0429(9) Uani 1 1 d .
H3 H 0.4805 0.1257 0.6492 0.051 Uiso 1 1 calc R
C4 C 0.3724(3) 0.15942(13) 0.6666(2) 0.0508(11) Uani 1 1 d .
C5 C 0.3550(2) 0.19423(13) 0.7036(2) 0.0492(11) Uani 1 1 d .
H5 H 0.2905 0.2022 0.6984 0.059 Uiso 1 1 calc R
C6 C 0.4304(2) 0.21794(11) 0.7486(2) 0.0356(8) Uani 1 1 d .
H6 H 0.4160 0.2417 0.7729 0.043 Uiso 1 1 calc R
C7 C 0.2897(4) 0.13401(17) 0.6183(3) 0.0855(19) Uani 1 1 d .
H7A H 0.2326 0.1506 0.5980 0.128 Uiso 1 1 calc R
H7B H 0.2758 0.1131 0.6536 0.128 Uiso 1 1 calc R
H7C H 0.3074 0.1218 0.5721 0.128 Uiso 1 1 calc R
C8 C 0.5307(2) 0.17585(9) 0.93115(16) 0.0226(6) Uani 1 1 d .
H8A H 0.4688 0.1892 0.9057 0.027 Uiso 1 1 calc R
H8B H 0.5398 0.1549 0.8931 0.027 Uiso 1 1 calc R
C9 C 0.5232(2) 0.15593(9) 1.00987(17) 0.0243(6) Uani 1 1 d .
H9A H 0.5190 0.1768 1.0497 0.029 Uiso 1 1 calc R
H9B H 0.5828 0.1406 1.0332 0.029 Uiso 1 1 calc R
C10 C 0.3214(2) 0.15444(9) 0.94356(18) 0.0240(6) Uani 1 1 d .
C11 C 0.2478(2) 0.14335(10) 0.8755(2) 0.0315(7) Uani 1 1 d .
H11 H 0.2489 0.1178 0.8522 0.038 Uiso 1 1 calc R
C12 C 0.1730(2) 0.16933(12) 0.8412(2) 0.0430(9) Uani 1 1 d .
H12 H 0.1231 0.1614 0.7951 0.052 Uiso 1 1 calc R
C13 C 0.1714(3) 0.20660(12) 0.8745(2) 0.0477(10) Uani 1 1 d .
H13 H 0.1203 0.2244 0.8512 0.057 Uiso 1 1 calc R
C14 C 0.2436(3) 0.21805(12) 0.9413(2) 0.0484(10) Uani 1 1 d .
H14 H 0.2426 0.2439 0.9636 0.058 Uiso 1 1 calc R
C15 C 0.3175(3) 0.19233(10) 0.9763(2) 0.0353(8) Uani 1 1 d .
H15 H 0.3662 0.2004 1.0230 0.042 Uiso 1 1 calc R
C16 C 0.4450(2) 0.08666(8) 0.92538(18) 0.0237(6) Uani 1 1 d .
C17 C 0.4273(2) 0.09217(9) 0.84111(17) 0.0258(6) Uani 1 1 d .
H17 H 0.3935 0.1151 0.8161 0.031 Uiso 1 1 calc R
C18 C 0.4589(2) 0.06439(10) 0.7937(2) 0.0333(7) Uani 1 1 d .
H18 H 0.4447 0.0682 0.7364 0.040 Uiso 1 1 calc R
C19 C 0.5106(3) 0.03143(10) 0.8287(2) 0.0408(9) Uani 1 1 d .
H19 H 0.5315 0.0125 0.7957 0.049 Uiso 1 1 calc R
C20 C 0.5315(3) 0.02621(11) 0.9124(2) 0.0446(9) Uani 1 1 d .
H20 H 0.5687 0.0040 0.9371 0.054 Uiso 1 1 calc R
C21 C 0.4985(3) 0.05319(10) 0.9603(2) 0.0368(8) Uani 1 1 d .
H21 H 0.5123 0.0490 1.0174 0.044 Uiso 1 1 calc R
C22 C 0.3773(2) 0.07578(8) 1.22314(17) 0.0238(6) Uani 1 1 d .
C23 C 0.2809(2) 0.06439(9) 1.21600(19) 0.0281(7) Uani 1 1 d .
C24 C 0.2501(3) 0.05436(10) 1.2843(2) 0.0373(8) Uani 1 1 d .
H24 H 0.1845 0.0480 1.2782 0.045 Uiso 1 1 calc R
C25 C 0.3143(3) 0.05366(10) 1.3604(2) 0.0401(8) Uani 1 1 d .
H25 H 0.2931 0.0472 1.4070 0.048 Uiso 1 1 calc R
C26 C 0.4105(3) 0.06252(10) 1.3688(2) 0.0361(8) Uani 1 1 d .
H26 H 0.4555 0.0609 1.4209 0.043 Uiso 1 1 calc R
C27 C 0.4416(2) 0.07379(9) 1.30111(18) 0.0292(7) Uani 1 1 d .
H27 H 0.5073 0.0802 1.3081 0.035 Uiso 1 1 calc R
C28 C 0.2178(2) 0.06208(9) 1.13261(19) 0.0273(6) Uani 1 1 d .
C29 C 0.1205(2) 0.05222(11) 1.1119(2) 0.0391(8) Uani 1 1 d .
H29 H 0.0891 0.0483 1.1537 0.047 Uiso 1 1 calc R
C30 C 0.0697(2) 0.04811(11) 1.0315(2) 0.0428(9) Uani 1 1 d .
H30 H 0.0030 0.0420 1.0175 0.051 Uiso 1 1 calc R
C31 C 0.1163(2) 0.05296(10) 0.9713(2) 0.0357(8) Uani 1 1 d .
H31 H 0.0835 0.0490 0.9155 0.043 Uiso 1 1 calc R
C32 C 0.2124(2) 0.06382(9) 0.99438(19) 0.0285(7) Uani 1 1 d .
H32 H 0.2445 0.0676 0.9530 0.034 Uiso 1 1 calc R
C33 C 0.5201(2) 0.12400(9) 1.17835(17) 0.0229(6) Uani 1 1 d .
C34 C 0.5127(2) 0.16078(9) 1.21482(18) 0.0260(6) Uani 1 1 d .
H34 H 0.4508 0.1712 1.2120 0.031 Uiso 1 1 calc R
C35 C 0.5935(2) 0.18252(9) 1.25498(18) 0.0286(7) Uani 1 1 d .
H35 H 0.5853 0.2072 1.2794 0.034 Uiso 1 1 calc R
C36 C 0.6857(2) 0.16906(9) 1.26015(18) 0.0288(7) Uani 1 1 d .
C37 C 0.6942(2) 0.13244(10) 1.22490(18) 0.0296(7) Uani 1 1 d .
H37 H 0.7563 0.1223 1.2274 0.035 Uiso 1 1 calc R
C38 C 0.6132(2) 0.11035(9) 1.18603(18) 0.0276(6) Uani 1 1 d .
H38 H 0.6217 0.0851 1.1640 0.033 Uiso 1 1 calc R
C39 C 0.7729(2) 0.19365(11) 1.3010(2) 0.0407(8) Uani 1 1 d .
H39A H 0.8011 0.1837 1.3563 0.061 Uiso 1 1 calc R
H39B H 0.7537 0.2214 1.3036 0.061 Uiso 1 1 calc R
H39C H 0.8204 0.1918 1.2695 0.061 Uiso 1 1 calc R
C40 C 0.5957(2) 0.24940(8) 1.00892(17) 0.0215(6) Uani 1 1 d .
C41 C 0.6058(2) 0.24406(9) 1.09263(18) 0.0269(6) Uani 1 1 d .
H41 H 0.6357 0.2208 1.1192 0.032 Uiso 1 1 calc R
C42 C 0.5720(3) 0.27285(10) 1.1367(2) 0.0362(8) Uani 1 1 d .
H42 H 0.5798 0.2692 1.1935 0.043 Uiso 1 1 calc R
C43 C 0.5274(3) 0.30665(10) 1.0987(2) 0.0405(8) Uani 1 1 d .
H43 H 0.5043 0.3261 1.1292 0.049 Uiso 1 1 calc R
C44 C 0.5163(3) 0.31211(10) 1.0164(2) 0.0390(8) Uani 1 1 d .
H44 H 0.4850 0.3352 0.9901 0.047 Uiso 1 1 calc R
C45 C 0.5506(2) 0.28394(9) 0.9719(2) 0.0319(7) Uani 1 1 d .
H45 H 0.5434 0.2882 0.9154 0.038 Uiso 1 1 calc R
C46 C 0.7306(2) 0.18457(8) 1.00462(17) 0.0224(6) Uani 1 1 d .
C47 C 0.7449(3) 0.14641(10) 0.9785(2) 0.0352(8) Uani 1 1 d .
H47 H 0.7010 0.1358 0.9312 0.042 Uiso 1 1 calc R
C48 C 0.8229(3) 0.12367(12) 1.0208(2) 0.0482(10) Uani 1 1 d .
H48 H 0.8313 0.0976 1.0028 0.058 Uiso 1 1 calc R
C49 C 0.8875(3) 0.13874(13) 1.0883(2) 0.0487(10) Uani 1 1 d .
H49 H 0.9410 0.1232 1.1166 0.058 Uiso 1 1 calc R
C50 C 0.8752(2) 0.17645(11) 1.1155(2) 0.0385(8) Uani 1 1 d .
H50 H 0.9201 0.1868 1.1625 0.046 Uiso 1 1 calc R
C51 C 0.7971(2) 0.19930(10) 1.07399(19) 0.0289(7) Uani 1 1 d .
H51 H 0.7889 0.2252 1.0931 0.035 Uiso 1 1 calc R
C52 C 0.7676(2) 0.30778(8) 0.81471(17) 0.0209(6) Uani 1 1 d .
C53 C 0.8394(2) 0.33614(9) 0.83911(19) 0.0305(7) Uani 1 1 d .
H53 H 0.8485 0.3555 0.8013 0.037 Uiso 1 1 calc R
C54 C 0.8977(2) 0.33631(9) 0.9182(2) 0.0326(7) Uani 1 1 d .
H54 H 0.9472 0.3555 0.9349 0.039 Uiso 1 1 calc R
C55 C 0.8829(2) 0.30817(10) 0.97239(19) 0.0324(7) Uani 1 1 d .
H55 H 0.9227 0.3073 1.0268 0.039 Uiso 1 1 calc R
C56 C 0.8088(2) 0.28130(10) 0.94566(19) 0.0305(7) Uani 1 1 d .
H56 H 0.7977 0.2623 0.9834 0.037 Uiso 1 1 calc R
C57 C 0.7042(2) 0.30372(8) 0.73114(17) 0.0222(6) Uani 1 1 d .
C58 C 0.7112(2) 0.32902(9) 0.66777(18) 0.0276(6) Uani 1 1 d .
H58 H 0.7572 0.3499 0.6782 0.033 Uiso 1 1 calc R
C59 C 0.6512(2) 0.32374(9) 0.58998(19) 0.0304(7) Uani 1 1 d .
H59 H 0.6560 0.3408 0.5468 0.036 Uiso 1 1 calc R
C60 C 0.5844(2) 0.29336(9) 0.57565(19) 0.0289(7) Uani 1 1 d .
H60 H 0.5432 0.2896 0.5224 0.035 Uiso 1 1 calc R
C61 C 0.5770(2) 0.26820(8) 0.63879(17) 0.0233(6) Uani 1 1 d .
H61 H 0.5304 0.2476 0.6276 0.028 Uiso 1 1 calc R
C62 C 0.63665(19) 0.27252(8) 0.71842(17) 0.0197(5) Uani 1 1 d .
C63 C 0.69543(19) 0.53647(8) 1.03766(17) 0.0206(6) Uani 1 1 d .
C64 C 0.7624(2) 0.53140(9) 0.99253(18) 0.0268(6) Uani 1 1 d .
H64 H 0.7460 0.5391 0.9368 0.032 Uiso 1 1 calc R
C65 C 0.8521(2) 0.51530(10) 1.0277(2) 0.0332(7) Uani 1 1 d .
H65 H 0.8966 0.5119 0.9961 0.040 Uiso 1 1 calc R
C66 C 0.8768(2) 0.50422(10) 1.1089(2) 0.0337(7) Uani 1 1 d .
H66 H 0.9387 0.4935 1.1336 0.040 Uiso 1 1 calc R
C67 C 0.8112(2) 0.50877(10) 1.1539(2) 0.0336(7) Uani 1 1 d .
H67 H 0.8281 0.5010 1.2096 0.040 Uiso 1 1 calc R
C68 C 0.7208(2) 0.52454(9) 1.11889(18) 0.0277(6) Uani 1 1 d .
H68 H 0.6761 0.5272 1.1505 0.033 Uiso 1 1 calc R
C69 C 0.5039(2) 0.51090(8) 0.96180(17) 0.0230(6) Uani 1 1 d .
H69A H 0.4383 0.5182 0.9293 0.028 Uiso 1 1 calc R
H69B H 0.5310 0.4925 0.9285 0.028 Uiso 1 1 calc R
C70 C 0.4835(2) 0.55622(8) 0.79756(16) 0.0207(6) Uani 1 1 d .
C71 C 0.5076(2) 0.51972(9) 0.76850(18) 0.0254(6) Uani 1 1 d .
H71 H 0.5732 0.5118 0.7820 0.031 Uiso 1 1 calc R
C72 C 0.4383(2) 0.49474(9) 0.72051(19) 0.0309(7) Uani 1 1 d .
H72 H 0.4577 0.4701 0.7030 0.037 Uiso 1 1 calc R
C73 C 0.3415(2) 0.50485(10) 0.69760(19) 0.0303(7) Uani 1 1 d .
C74 C 0.2670(3) 0.47788(12) 0.6437(2) 0.0480(10) Uani 1 1 d .
H74A H 0.2780 0.4764 0.5894 0.072 Uiso 1 1 calc R
H74B H 0.2026 0.4885 0.6390 0.072 Uiso 1 1 calc R
H74C H 0.2722 0.4513 0.6678 0.072 Uiso 1 1 calc R
C75 C 0.3167(2) 0.54100(9) 0.72554(18) 0.0287(7) Uani 1 1 d .
H75 H 0.2512 0.5490 0.7110 0.034 Uiso 1 1 calc R
C76 C 0.3862(2) 0.56583(9) 0.77468(18) 0.0251(6) Uani 1 1 d .
H76 H 0.3662 0.5902 0.7931 0.030 Uiso 1 1 calc R
C77 C 0.7468(2) 0.63336(9) 1.00141(18) 0.0282(7) Uani 1 1 d .
H77 H 0.7326 0.6143 1.0376 0.034 Uiso 1 1 calc R
C78 C 0.8215(2) 0.65968(10) 1.0316(2) 0.0321(7) Uani 1 1 d .
H78 H 0.8588 0.6582 1.0868 0.039 Uiso 1 1 calc R
C79 C 0.8405(2) 0.68816(9) 0.9794(2) 0.0319(7) Uani 1 1 d .
H79 H 0.8912 0.7067 0.9983 0.038 Uiso 1 1 calc R
C80 C 0.7850(2) 0.68926(9) 0.8999(2) 0.0302(7) Uani 1 1 d .
H80 H 0.7960 0.7092 0.8640 0.036 Uiso 1 1 calc R
C81 C 0.7125(2) 0.66122(8) 0.87195(18) 0.0234(6) Uani 1 1 d .
C82 C 0.6544(2) 0.65803(8) 0.78661(18) 0.0236(6) Uani 1 1 d .
C83 C 0.5904(2) 0.62564(8) 0.76853(17) 0.0221(6) Uani 1 1 d .
C84 C 0.5396(2) 0.62056(10) 0.68684(18) 0.0288(7) Uani 1 1 d .
H84 H 0.4963 0.5989 0.6722 0.035 Uiso 1 1 calc R
C85 C 0.5509(2) 0.64653(11) 0.6261(2) 0.0349(8) Uani 1 1 d .
H85 H 0.5157 0.6422 0.5710 0.042 Uiso 1 1 calc R
C86 C 0.6128(2) 0.67829(11) 0.6458(2) 0.0375(8) Uani 1 1 d .
H86 H 0.6194 0.6962 0.6045 0.045 Uiso 1 1 calc R
C87 C 0.6653(2) 0.68418(10) 0.7259(2) 0.0328(7) Uani 1 1 d .
H87 H 0.7086 0.7059 0.7395 0.039 Uiso 1 1 calc R
C88 C 0.5257(2) 0.58214(8) 1.05289(17) 0.0211(6) Uani 1 1 d .
C89 C 0.5787(2) 0.59870(9) 1.12618(18) 0.0280(6) Uani 1 1 d .
H89 H 0.6468 0.5964 1.1416 0.034 Uiso 1 1 calc R
C90 C 0.5331(2) 0.61852(11) 1.1770(2) 0.0361(8) Uani 1 1 d .
H90 H 0.5703 0.6292 1.2273 0.043 Uiso 1 1 calc R
C91 C 0.4347(3) 0.62287(11) 1.1552(2) 0.0381(8) Uani 1 1 d .
H91 H 0.4039 0.6364 1.1901 0.046 Uiso 1 1 calc R
C92 C 0.3813(2) 0.60735(11) 1.0817(2) 0.0365(8) Uani 1 1 d .
H92 H 0.3134 0.6104 1.0659 0.044 Uiso 1 1 calc R
C93 C 0.4261(2) 0.58739(9) 1.0311(2) 0.0307(7) Uani 1 1 d .
H93 H 0.3884 0.5771 0.9807 0.037 Uiso 1 1 calc R
C94 C 0.7856(3) 0.57878(13) 0.7123(3) 0.0671(13) Uani 1 1 d .
H94A H 0.7408 0.6007 0.7146 0.080 Uiso 1 1 calc R
H94B H 0.8356 0.5894 0.6880 0.080 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'
N N 0.0061 0.0033 '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
C1 Pt1 C62 91.24(11) .
C1 Pt1 N2 171.00(10) .
C62 Pt1 N2 79.83(10) .
C1 Pt1 P1 90.47(8) .
C62 Pt1 P1 173.27(7) .
N2 Pt1 P1 98.53(6) .
C33 Pt2 C22 91.03(12) .
C33 Pt2 N1 168.61(10) .
C22 Pt2 N1 79.70(11) .
C33 Pt2 P2 88.81(8) .
C22 Pt2 P2 176.30(8) .
N1 Pt2 P2 100.01(7) .
C70 Pt3 C83 91.85(11) .
C70 Pt3 N3 171.14(10) .
C83 Pt3 N3 79.47(10) .
C70 Pt3 P3 89.56(8) .
C83 Pt3 P3 178.23(8) .
N3 Pt3 P3 99.15(7) .
C40 P1 C46 107.15(13) .
C40 P1 C8 102.25(13) .
C46 P1 C8 101.27(13) .
C40 P1 Pt1 110.38(9) .
C46 P1 Pt1 119.79(9) .
C8 P1 Pt1 114.26(9) .
C16 P2 C10 109.11(14) .
C16 P2 C9 100.51(13) .
C10 P2 C9 101.23(14) .
C16 P2 Pt2 115.51(10) .
C10 P2 Pt2 113.81(9) .
C9 P2 Pt2 115.01(9) .
C88 P3 C63 108.22(13) .
C88 P3 C69 100.95(13) .
C63 P3 C69 102.11(13) .
C88 P3 Pt3 115.11(9) .
C63 P3 Pt3 113.03(9) .
C69 P3 Pt3 115.99(9) .
C32 N1 C28 118.8(3) .
C32 N1 Pt2 127.8(2) .
C28 N1 Pt2 112.9(2) .
C56 N2 C52 118.4(2) .
C56 N2 Pt1 126.67(19) .
C52 N2 Pt1 114.92(18) .
C77 N3 C81 118.2(3) .
C77 N3 Pt3 127.04(19) .
C81 N3 Pt3 114.64(19) .
C2 C1 C6 116.0(3) .
C2 C1 Pt1 121.7(2) .
C6 C1 Pt1 122.3(2) .
C3 C2 C1 122.0(3) .
C3 C2 H2 119.0 .
C1 C2 H2 119.0 .
C4 C3 C2 121.5(4) .
C4 C3 H3 119.2 .
C2 C3 H3 119.2 .
C3 C4 C5 117.6(3) .
C3 C4 C7 121.7(5) .
C5 C4 C7 120.7(4) .
C4 C5 C6 121.4(4) .
C4 C5 H5 119.3 .
C6 C5 H5 119.3 .
C5 C6 C1 121.5(4) .
C5 C6 H6 119.3 .
C1 C6 H6 119.3 .
C4 C7 H7A 109.5 .
C4 C7 H7B 109.5 .
H7A C7 H7B 109.5 .
C4 C7 H7C 109.5 .
H7A C7 H7C 109.5 .
H7B C7 H7C 109.5 .
C9 C8 P1 115.69(19) .
C9 C8 H8A 108.4 .
P1 C8 H8A 108.4 .
C9 C8 H8B 108.4 .
P1 C8 H8B 108.4 .
H8A C8 H8B 107.4 .
C8 C9 P2 114.4(2) .
C8 C9 H9A 108.7 .
P2 C9 H9A 108.7 .
C8 C9 H9B 108.7 .
P2 C9 H9B 108.7 .
H9A C9 H9B 107.6 .
C11 C10 C15 118.1(3) .
C11 C10 P2 125.0(2) .
C15 C10 P2 116.8(2) .
C12 C11 C10 120.8(3) .
C12 C11 H11 119.6 .
C10 C11 H11 119.6 .
C13 C12 C11 119.8(4) .
C13 C12 H12 120.1 .
C11 C12 H12 120.1 .
C14 C13 C12 120.1(3) .
C14 C13 H13 119.9 .
C12 C13 H13 119.9 .
C13 C14 C15 120.5(4) .
C13 C14 H14 119.8 .
C15 C14 H14 119.8 .
C14 C15 C10 120.7(3) .
C14 C15 H15 119.6 .
C10 C15 H15 119.6 .
C17 C16 C21 117.9(3) .
C17 C16 P2 125.8(2) .
C21 C16 P2 115.7(2) .
C18 C17 C16 120.5(3) .
C18 C17 H17 119.8 .
C16 C17 H17 119.8 .
C19 C18 C17 121.0(3) .
C19 C18 H18 119.5 .
C17 C18 H18 119.5 .
C18 C19 C20 119.2(3) .
C18 C19 H19 120.4 .
C20 C19 H19 120.4 .
C19 C20 C21 120.4(3) .
C19 C20 H20 119.8 .
C21 C20 H20 119.8 .
C20 C21 C16 120.9(3) .
C20 C21 H21 119.5 .
C16 C21 H21 119.5 .
C27 C22 C23 116.9(3) .
C27 C22 Pt2 129.3(2) .
C23 C22 Pt2 113.6(2) .
C24 C23 C22 121.4(3) .
C24 C23 C28 122.7(3) .
C22 C23 C28 115.9(3) .
C25 C24 C23 120.2(3) .
C25 C24 H24 119.9 .
C23 C24 H24 119.9 .
C24 C25 C26 119.7(3) .
C24 C25 H25 120.2 .
C26 C25 H25 120.2 .
C25 C26 C27 120.5(3) .
C25 C26 H26 119.7 .
C27 C26 H26 119.7 .
C26 C27 C22 121.1(3) .
C26 C27 H27 119.4 .
C22 C27 H27 119.4 .
N1 C28 C29 119.8(3) .
N1 C28 C23 114.9(3) .
C29 C28 C23 125.3(3) .
C30 C29 C28 120.5(3) .
C30 C29 H29 119.8 .
C28 C29 H29 119.8 .
C29 C30 C31 119.4(3) .
C29 C30 H30 120.3 .
C31 C30 H30 120.3 .
C30 C31 C32 118.3(3) .
C30 C31 H31 120.9 .
C32 C31 H31 120.9 .
N1 C32 C31 123.1(3) .
N1 C32 H32 118.5 .
C31 C32 H32 118.5 .
C38 C33 C34 115.8(3) .
C38 C33 Pt2 124.9(2) .
C34 C33 Pt2 119.3(2) .
C35 C34 C33 122.0(3) .
C35 C34 H34 119.0 .
C33 C34 H34 119.0 .
C36 C35 C34 121.5(3) .
C36 C35 H35 119.2 .
C34 C35 H35 119.2 .
C35 C36 C37 117.2(3) .
C35 C36 C39 121.1(3) .
C37 C36 C39 121.7(3) .
C36 C37 C38 121.2(3) .
C36 C37 H37 119.4 .
C38 C37 H37 119.4 .
C33 C38 C37 122.3(3) .
C33 C38 H38 118.9 .
C37 C38 H38 118.9 .
C36 C39 H39A 109.5 .
C36 C39 H39B 109.5 .
H39A C39 H39B 109.5 .
C36 C39 H39C 109.5 .
H39A C39 H39C 109.5 .
H39B C39 H39C 109.5 .
C45 C40 C41 118.2(3) .
C45 C40 P1 117.1(2) .
C41 C40 P1 124.5(2) .
C42 C41 C40 120.1(3) .
C42 C41 H41 119.9 .
C40 C41 H41 119.9 .
C43 C42 C41 120.6(3) .
C43 C42 H42 119.7 .
C41 C42 H42 119.7 .
C44 C43 C42 119.9(3) .
C44 C43 H43 120.1 .
C42 C43 H43 120.1 .
C43 C44 C45 120.2(3) .
C43 C44 H44 119.9 .
C45 C44 H44 119.9 .
C44 C45 C40 121.0(3) .
C44 C45 H45 119.5 .
C40 C45 H45 119.5 .
C47 C46 C51 118.0(3) .
C47 C46 P1 117.1(2) .
C51 C46 P1 124.8(2) .
C48 C47 C46 120.8(3) .
C48 C47 H47 119.6 .
C46 C47 H47 119.6 .
C49 C48 C47 120.3(4) .
C49 C48 H48 119.8 .
C47 C48 H48 119.8 .
C48 C49 C50 120.2(3) .
C48 C49 H49 119.9 .
C50 C49 H49 119.9 .
C49 C50 C51 120.0(3) .
C49 C50 H50 120.0 .
C51 C50 H50 120.0 .
C50 C51 C46 120.8(3) .
C50 C51 H51 119.6 .
C46 C51 H51 119.6 .
N2 C52 C53 120.6(3) .
N2 C52 C57 114.6(2) .
C53 C52 C57 124.8(3) .
C54 C53 C52 120.3(3) .
C54 C53 H53 119.9 .
C52 C53 H53 119.9 .
C55 C54 C53 119.0(3) .
C55 C54 H54 120.5 .
C53 C54 H54 120.5 .
C54 C55 C56 118.4(3) .
C54 C55 H55 120.8 .
C56 C55 H55 120.8 .
N2 C56 C55 123.3(3) .
N2 C56 H56 118.4 .
C55 C56 H56 118.4 .
C58 C57 C62 121.7(3) .
C58 C57 C52 122.1(3) .
C62 C57 C52 116.2(2) .
C59 C58 C57 120.1(3) .
C59 C58 H58 119.9 .
C57 C58 H58 119.9 .
C60 C59 C58 119.4(3) .
C60 C59 H59 120.3 .
C58 C59 H59 120.3 .
C59 C60 C61 120.6(3) .
C59 C60 H60 119.7 .
C61 C60 H60 119.7 .
C60 C61 C62 121.7(3) .
C60 C61 H61 119.1 .
C62 C61 H61 119.1 .
C61 C62 C57 116.4(3) .
C61 C62 Pt1 129.2(2) .
C57 C62 Pt1 114.4(2) .
C68 C63 C64 118.3(3) .
C68 C63 P3 125.9(2) .
C64 C63 P3 115.7(2) .
C65 C64 C63 121.1(3) .
C65 C64 H64 119.5 .
C63 C64 H64 119.5 .
C64 C65 C66 119.9(3) .
C64 C65 H65 120.1 .
C66 C65 H65 120.1 .
C67 C66 C65 119.6(3) .
C67 C66 H66 120.2 .
C65 C66 H66 120.2 .
C66 C67 C68 120.8(3) .
C66 C67 H67 119.6 .
C68 C67 H67 119.6 .
C67 C68 C63 120.3(3) .
C67 C68 H68 119.9 .
C63 C68 H68 119.9 .
C69 C69 P3 114.8(3) 3_667
C69 C69 H69A 108.6 3_667
P3 C69 H69A 108.6 .
C69 C69 H69B 108.6 3_667
P3 C69 H69B 108.6 .
H69A C69 H69B 107.5 .
C76 C70 C71 115.6(3) .
C76 C70 Pt3 122.7(2) .
C71 C70 Pt3 121.6(2) .
C72 C71 C70 121.9(3) .
C72 C71 H71 119.0 .
C70 C71 H71 119.0 .
C73 C72 C71 121.8(3) .
C73 C72 H72 119.1 .
C71 C72 H72 119.1 .
C72 C73 C75 116.9(3) .
C72 C73 C74 121.3(3) .
C75 C73 C74 121.8(3) .
C73 C74 H74A 109.5 .
C73 C74 H74B 109.5 .
H74A C74 H74B 109.5 .
C73 C74 H74C 109.5 .
H74A C74 H74C 109.5 .
H74B C74 H74C 109.5 .
C73 C75 C76 121.3(3) .
C73 C75 H75 119.3 .
C76 C75 H75 119.3 .
C70 C76 C75 122.4(3) .
C70 C76 H76 118.8 .
C75 C76 H76 118.8 .
N3 C77 C78 123.3(3) .
N3 C77 H77 118.3 .
C78 C77 H77 118.3 .
C77 C78 C79 118.4(3) .
C77 C78 H78 120.8 .
C79 C78 H78 120.8 .
C80 C79 C78 119.1(3) .
C80 C79 H79 120.5 .
C78 C79 H79 120.5 .
C79 C80 C81 120.2(3) .
C79 C80 H80 119.9 .
C81 C80 H80 119.9 .
N3 C81 C80 120.7(3) .
N3 C81 C82 115.0(2) .
C80 C81 C82 124.2(3) .
C87 C82 C83 121.6(3) .
C87 C82 C81 122.3(3) .
C83 C82 C81 116.0(2) .
C84 C83 C82 116.7(3) .
C84 C83 Pt3 128.5(2) .
C82 C83 Pt3 114.8(2) .
C85 C84 C83 121.7(3) .
C85 C84 H84 119.1 .
C83 C84 H84 119.1 .
C86 C85 C84 120.2(3) .
C86 C85 H85 119.9 .
C84 C85 H85 119.9 .
C85 C86 C87 120.0(3) .
C85 C86 H86 120.0 .
C87 C86 H86 120.0 .
C86 C87 C82 119.7(3) .
C86 C87 H87 120.1 .
C82 C87 H87 120.1 .
C89 C88 C93 117.7(3) .
C89 C88 P3 124.4(2) .
C93 C88 P3 117.8(2) .
C90 C89 C88 120.8(3) .
C90 C89 H89 119.6 .
C88 C89 H89 119.6 .
C91 C90 C89 120.7(3) .
C91 C90 H90 119.7 .
C89 C90 H90 119.7 .
C90 C91 C92 119.2(3) .
C90 C91 H91 120.4 .
C92 C91 H91 120.4 .
C93 C92 C91 120.4(3) .
C93 C92 H92 119.8 .
C91 C92 H92 119.8 .
C92 C93 C88 121.2(3) .
C92 C93 H93 119.4 .
C88 C93 H93 119.4 .
Cl1 C94 Cl2 113.1(3) .
Cl1 C94 H94A 109.0 .
Cl2 C94 H94A 109.0 .
Cl1 C94 H94B 109.0 .
Cl2 C94 H94B 109.0 .
H94A C94 H94B 107.8 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C1 2.012(3) .
Pt1 C62 2.041(3) .
Pt1 N2 2.110(2) .
Pt1 P1 2.3206(7) .
Pt2 C33 2.009(3) .
Pt2 C22 2.033(3) .
Pt2 N1 2.122(2) .
Pt2 P2 2.3190(7) .
Pt3 C70 2.015(3) .
Pt3 C83 2.045(3) .
Pt3 N3 2.124(2) .
Pt3 P3 2.3106(7) .
Cl1 C94 1.740(5) .
Cl2 C94 1.741(5) .
P1 C40 1.822(3) .
P1 C46 1.834(3) .
P1 C8 1.835(3) .
P2 C16 1.820(3) .
P2 C10 1.820(3) .
P2 C9 1.839(3) .
P3 C88 1.829(3) .
P3 C63 1.831(3) .
P3 C69 1.838(3) .
N1 C32 1.342(4) .
N1 C28 1.369(4) .
N2 C56 1.346(4) .
N2 C52 1.360(3) .
N3 C77 1.346(4) .
N3 C81 1.360(3) .
C1 C2 1.398(4) .
C1 C6 1.401(4) .
C2 C3 1.394(4) .
C2 H2 0.9500 .
C3 C4 1.374(6) .
C3 H3 0.9500 .
C4 C5 1.386(6) .
C4 C7 1.519(5) .
C5 C6 1.400(5) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 C9 1.528(4) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C11 1.396(4) .
C10 C15 1.400(4) .
C11 C12 1.391(5) .
C11 H11 0.9500 .
C12 C13 1.380(6) .
C12 H12 0.9500 .
C13 C14 1.375(6) .
C13 H13 0.9500 .
C14 C15 1.379(5) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C16 C17 1.400(4) .
C16 C21 1.405(4) .
C17 C18 1.390(4) .
C17 H17 0.9500 .
C18 C19 1.380(5) .
C18 H18 0.9500 .
C19 C20 1.386(5) .
C19 H19 0.9500 .
C20 C21 1.388(5) .
C20 H20 0.9500 .
C21 H21 0.9500 .
C22 C27 1.401(4) .
C22 C23 1.418(4) .
C23 C24 1.393(4) .
C23 C28 1.468(4) .
C24 C25 1.376(5) .
C24 H24 0.9500 .
C25 C26 1.391(5) .
C25 H25 0.9500 .
C26 C27 1.396(4) .
C26 H26 0.9500 .
C27 H27 0.9500 .
C28 C29 1.394(4) .
C29 C30 1.376(5) .
C29 H29 0.9500 .
C30 C31 1.379(5) .
C30 H30 0.9500 .
C31 C32 1.385(4) .
C31 H31 0.9500 .
C32 H32 0.9500 .
C33 C38 1.394(4) .
C33 C34 1.403(4) .
C34 C35 1.391(4) .
C34 H34 0.9500 .
C35 C36 1.387(4) .
C35 H35 0.9500 .
C36 C37 1.392(4) .
C36 C39 1.511(4) .
C37 C38 1.394(4) .
C37 H37 0.9500 .
C38 H38 0.9500 .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C40 C45 1.398(4) .
C40 C41 1.404(4) .
C41 C42 1.393(4) .
C41 H41 0.9500 .
C42 C43 1.380(5) .
C42 H42 0.9500 .
C43 C44 1.379(5) .
C43 H43 0.9500 .
C44 C45 1.386(4) .
C44 H44 0.9500 .
C45 H45 0.9500 .
C46 C47 1.394(4) .
C46 C51 1.397(4) .
C47 C48 1.392(5) .
C47 H47 0.9500 .
C48 C49 1.368(6) .
C48 H48 0.9500 .
C49 C50 1.380(5) .
C49 H49 0.9500 .
C50 C51 1.391(4) .
C50 H50 0.9500 .
C51 H51 0.9500 .
C52 C53 1.389(4) .
C52 C57 1.476(4) .
C53 C54 1.382(4) .
C53 H53 0.9500 .
C54 C55 1.379(4) .
C54 H54 0.9500 .
C55 C56 1.382(4) .
C55 H55 0.9500 .
C56 H56 0.9500 .
C57 C58 1.400(4) .
C57 C62 1.410(4) .
C58 C59 1.385(4) .
C58 H58 0.9500 .
C59 C60 1.382(4) .
C59 H59 0.9500 .
C60 C61 1.396(4) .
C60 H60 0.9500 .
C61 C62 1.404(4) .
C61 H61 0.9500 .
C63 C68 1.391(4) .
C63 C64 1.399(4) .
C64 C65 1.383(4) .
C64 H64 0.9500 .
C65 C66 1.383(5) .
C65 H65 0.9500 .
C66 C67 1.378(4) .
C66 H66 0.9500 .
C67 C68 1.387(4) .
C67 H67 0.9500 .
C68 H68 0.9500 .
C69 C69 1.524(5) 3_667
C69 H69A 0.9900 .
C69 H69B 0.9900 .
C70 C76 1.393(4) .
C70 C71 1.404(4) .
C71 C72 1.392(4) .
C71 H71 0.9500 .
C72 C73 1.389(4) .
C72 H72 0.9500 .
C73 C75 1.389(5) .
C73 C74 1.514(4) .
C74 H74A 0.9800 .
C74 H74B 0.9800 .
C74 H74C 0.9800 .
C75 C76 1.398(4) .
C75 H75 0.9500 .
C76 H76 0.9500 .
C77 C78 1.384(4) .
C77 H77 0.9500 .
C78 C79 1.384(4) .
C78 H78 0.9500 .
C79 C80 1.375(4) .
C79 H79 0.9500 .
C80 C81 1.396(4) .
C80 H80 0.9500 .
C81 C82 1.473(4) .
C82 C87 1.399(4) .
C82 C83 1.409(4) .
C83 C84 1.397(4) .
C84 C85 1.397(4) .
C84 H84 0.9500 .
C85 C86 1.376(5) .
C85 H85 0.9500 .
C86 C87 1.384(5) .
C86 H86 0.9500 .
C87 H87 0.9500 .
C88 C89 1.393(4) .
C88 C93 1.397(4) .
C89 C90 1.391(4) .
C89 H89 0.9500 .
C90 C91 1.377(5) .
C90 H90 0.9500 .
C91 C92 1.383(5) .
C91 H91 0.9500 .
C92 C93 1.382(4) .
C92 H92 0.9500 .
C93 H93 0.9500 .
C94 H94A 0.9900 .
C94 H94B 0.9900 .
