#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/57/1505750.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_1505750
loop_
_publ_author_name
'Szeto, Kai Chung'
'Lillerud, Karl Petter'
'Tilset, Mats'
'Bjørgen, Morten'
'Prestipino, Carmelo'
'Zecchina, Adriano'
'Lamberti, Carlo'
'Bordiga, Silvia'
_publ_section_title
;
 A thermally stable Pt/Y-based metal-organic framework: Exploring the
 accessibility of the metal centers with spectroscopic methods using H2O,
 CH3OH, and CH3CN as probes.
;
_journal_issue                   43
_journal_name_full               'The journal of physical chemistry. B'
_journal_page_first              21509
_journal_page_last               21520
_journal_paper_doi               10.1021/jp0634611
_journal_volume                  110
_journal_year                    2006
_chemical_formula_sum            'C36 H40 Cl6 N6 O23 Pt3 Y2'
_chemical_formula_weight         1900.53
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.068(4)
_cell_length_b                   19.887(4)
_cell_length_c                   28.316(6)
_cell_measurement_reflns_used    9569
_cell_measurement_temperature    105(2)
_cell_measurement_theta_max      27.99
_cell_measurement_theta_min      2.26
_cell_volume                     10174(4)
_computing_cell_refinement       'SMART (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'Diamond 3.0 (Crystal Impact GbR)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      105(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Siemens Bruker SMART CCD'
_diffrn_measurement_method       'ω scan'
_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  0.1179
_diffrn_reflns_av_sigmaI/netI    0.0855
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            89116
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.44
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    10.880
_exptl_absorpt_correction_T_max  0.7361
_exptl_absorpt_correction_T_min  0.3551
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1997)'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    2.481
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             7168
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         4.026
_refine_diff_density_min         -2.487
_refine_diff_density_rms         0.292
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     595
_refine_ls_number_reflns         12475
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.1093
_refine_ls_R_factor_gt           0.0611
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0275P)²+203.5402P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1040
_refine_ls_wR_factor_ref         0.1171
_reflns_number_gt                8469
_reflns_number_total             12475
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jp0634611si20060807_044839.cif
_cod_data_source_block           4gen
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Empirical'
changed to 'empirical' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        10175(4)
_cod_database_code               1505750
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Pt1 Pt 0.47857(2) 0.34550(2) -0.191739(14) 0.01139(9) Uani 1 1 d .
Cl1 Cl 0.52336(14) 0.34018(14) -0.11547(9) 0.0181(6) Uani 1 1 d .
Cl2 Cl 0.59926(13) 0.33975(14) -0.21815(9) 0.0172(6) Uani 1 1 d .
N1 N 0.3709(4) 0.3510(4) -0.1730(3) 0.0100(17) Uiso 1 1 d .
N2 N 0.4323(4) 0.3450(4) -0.2565(3) 0.0131(18) Uiso 1 1 d .
C1 C 0.2431(6) 0.3646(6) -0.0693(4) 0.017(2) Uani 1 1 d .
C2 C 0.2703(5) 0.3586(6) -0.1202(4) 0.019(3) Uani 1 1 d .
C3 C 0.2199(5) 0.3536(6) -0.1566(4) 0.020(3) Uani 1 1 d .
H3 H 0.1682 0.3546 -0.1505 0.024 Uiso 1 1 calc R
C4 C 0.3452(6) 0.3566(5) -0.1285(4) 0.015(2) Uiso 1 1 d .
H4 H 0.3790 0.3591 -0.1029 0.018 Uiso 1 1 calc R
C5 C 0.2464(5) 0.3471(6) -0.2017(3) 0.018(2) Uani 1 1 d .
H5 H 0.2131 0.3426 -0.2275 0.022 Uiso 1 1 calc R
C6 C 0.3227(5) 0.3470(5) -0.2094(4) 0.013(2) Uiso 1 1 d .
C7 C 0.3560(5) 0.3433(5) -0.2572(4) 0.012(2) Uiso 1 1 d .
C8 C 0.3159(6) 0.3424(6) -0.2988(4) 0.020(3) Uani 1 1 d .
H8 H 0.2634 0.3412 -0.2983 0.023 Uiso 1 1 calc R
C9 C 0.3543(6) 0.3433(6) -0.3414(4) 0.022(3) Uani 1 1 d .
H9 H 0.3281 0.3444 -0.3705 0.026 Uiso 1 1 calc R
C10 C 0.4683(6) 0.3432(5) -0.2979(4) 0.015(2) Uiso 1 1 d .
H10 H 0.5209 0.3424 -0.2976 0.018 Uiso 1 1 calc R
C11 C 0.4318(6) 0.3424(5) -0.3411(4) 0.015(2) Uani 1 1 d .
C12 C 0.4757(6) 0.3462(5) -0.3854(4) 0.014(2) Uani 1 1 d .
O1 O 0.1775(4) 0.3772(4) -0.0620(3) 0.0240(19) Uani 1 1 d .
O2 O 0.2932(4) 0.3554(5) -0.0379(3) 0.028(2) Uani 1 1 d .
O3 O 0.4435(4) 0.3476(4) -0.4255(3) 0.0168(17) Uani 1 1 d .
O4 O 0.5460(4) 0.3485(4) -0.3830(3) 0.0178(17) Uani 1 1 d .
Pt2 Pt -0.01781(2) 0.50900(2) -0.303338(15) 0.01563(10) Uani 1 1 d .
Cl3 Cl -0.13676(14) 0.51791(16) -0.27519(10) 0.0256(7) Uani 1 1 d .
Cl4 Cl -0.06438(15) 0.51640(16) -0.37918(10) 0.0261(7) Uani 1 1 d .
N3 N 0.0317(5) 0.5064(4) -0.2387(3) 0.0158(19) Uiso 1 1 d .
N4 N 0.0893(4) 0.5046(4) -0.3232(3) 0.0133(18) Uiso 1 1 d .
C13 C 0.2135(6) 0.4932(7) -0.4295(4) 0.027(3) Uani 1 1 d .
C14 C 0.1886(6) 0.4977(6) -0.3788(4) 0.022(3) Uani 1 1 d .
C15 C 0.1134(6) 0.5021(6) -0.3680(4) 0.021(2) Uiso 1 1 d .
H15 H 0.0784 0.5032 -0.3930 0.025 Uiso 1 1 calc R
C16 C 0.2398(6) 0.4987(6) -0.3421(4) 0.025(3) Uani 1 1 d .
H16 H 0.2914 0.4960 -0.3482 0.030 Uiso 1 1 calc R
C17 C 0.2132(6) 0.5036(6) -0.2964(4) 0.023(3) Uani 1 1 d .
H17 H 0.2472 0.5063 -0.2709 0.027 Uiso 1 1 calc R
C18 C 0.1376(6) 0.5048(6) -0.2870(4) 0.016(2) Uiso 1 1 d .
C19 C 0.1062(6) 0.5055(6) -0.2399(4) 0.018(2) Uiso 1 1 d .
C20 C 0.1486(6) 0.5026(6) -0.1984(4) 0.020(2) Uani 1 1 d .
H20 H 0.2012 0.5025 -0.1998 0.024 Uiso 1 1 calc R
C21 C 0.1120(6) 0.5000(6) -0.1552(4) 0.022(3) Uani 1 1 d .
H21 H 0.1392 0.4974 -0.1266 0.026 Uiso 1 1 calc R
C22 C -0.0021(5) 0.5041(5) -0.1964(3) 0.010(2) Uiso 1 1 d .
H22 H -0.0547 0.5044 -0.1958 0.012 Uiso 1 1 calc R
C23 C 0.0341(6) 0.5014(5) -0.1544(4) 0.018(2) Uani 1 1 d .
C24 C -0.0068(6) 0.4975(5) -0.1079(4) 0.014(2) Uani 1 1 d .
O5 O 0.2012(6) 0.5414(5) -0.4560(3) 0.041(2) Uani 1 1 d .
O6 O 0.2462(5) 0.4406(5) -0.4407(3) 0.044(3) Uani 1 1 d .
O7 O 0.0323(4) 0.4790(4) -0.0715(3) 0.0221(18) Uani 1 1 d .
O8 O -0.0732(4) 0.5125(4) -0.1067(3) 0.0252(19) Uani 1 1 d .
Pt3 Pt -0.08001(2) 0.32169(2) 0.187772(14) 0.01382(9) Uani 1 1 d .
Cl5 Cl -0.20109(14) 0.32578(16) 0.21410(10) 0.0241(6) Uani 1 1 d .
Cl6 Cl -0.12460(15) 0.31435(16) 0.11158(10) 0.0249(7) Uani 1 1 d .
N5 N 0.0284(5) 0.3238(4) 0.1695(3) 0.0139(18) Uiso 1 1 d .
N6 N -0.0334(5) 0.3247(4) 0.2528(3) 0.0140(19) Uiso 1 1 d .
C25 C -0.0774(6) 0.3303(5) 0.3822(4) 0.016(2) Uani 1 1 d .
C26 C -0.0337(6) 0.3234(6) 0.3375(4) 0.016(2) Uani 1 1 d .
C27 C 0.0422(6) 0.3157(6) 0.3376(4) 0.019(2) Uani 1 1 d .
H27 H 0.0684 0.3106 0.3665 0.023 Uiso 1 1 calc R
C28 C -0.0708(5) 0.3273(5) 0.2939(3) 0.012(2) Uiso 1 1 d .
H28 H -0.1231 0.3319 0.2934 0.015 Uiso 1 1 calc R
C29 C 0.0805(7) 0.3156(6) 0.2942(4) 0.021(2) Uani 1 1 d .
H29 H 0.1329 0.3116 0.2937 0.025 Uiso 1 1 calc R
C30 C 0.0423(6) 0.3211(6) 0.2532(4) 0.015(2) Uiso 1 1 d .
C31 C 0.0777(5) 0.3246(5) 0.2056(3) 0.013(2) Uiso 1 1 d .
C32 C 0.1529(6) 0.3304(6) 0.1997(4) 0.020(3) Uani 1 1 d .
H32 H 0.1857 0.3327 0.2259 0.023 Uiso 1 1 calc R
C33 C 0.1790(6) 0.3329(6) 0.1526(4) 0.016(2) Uani 1 1 d .
H33 H 0.2306 0.3364 0.1464 0.019 Uiso 1 1 calc R
C34 C 0.0539(5) 0.3269(5) 0.1250(4) 0.011(2) Uiso 1 1 d .
H34 H 0.0199 0.3268 0.0994 0.013 Uiso 1 1 calc R
C35 C 0.1295(6) 0.3302(5) 0.1160(3) 0.013(2) Uani 1 1 d .
C36 C 0.1549(6) 0.3326(6) 0.0650(4) 0.016(2) Uani 1 1 d .
O9 O -0.1440(4) 0.3503(4) 0.3797(3) 0.0226(19) Uani 1 1 d .
O10 O -0.0471(4) 0.3171(4) 0.4208(3) 0.0207(18) Uani 1 1 d .
O11 O 0.1066(4) 0.3282(4) 0.0334(2) 0.0195(17) Uani 1 1 d .
O12 O 0.2228(4) 0.3384(5) 0.0587(3) 0.030(2) Uani 1 1 d .
Y1 Y 0.06116(5) 0.37847(5) -0.03398(3) 0.0132(2) Uani 1 1 d .
OW1 O -0.0343(4) 0.4034(4) 0.0191(3) 0.0224(18) Uani 1 1 d .
OW2 O 0.1139(4) 0.4653(4) 0.0135(3) 0.0265(19) Uani 1 1 d .
OW3 O 0.0513(4) 0.2596(4) -0.0358(3) 0.0243(19) Uani 1 1 d .
Y2 Y 0.34121(5) 0.34969(6) 0.03431(4) 0.0170(2) Uani 1 1 d .
OW4 O 0.4233(4) 0.2854(5) -0.0169(3) 0.031(2) Uani 1 1 d .
OW5 O 0.3174(5) 0.2348(4) 0.0478(3) 0.032(2) Uani 1 1 d .
OW6 O 0.4322(5) 0.4291(5) 0.0135(4) 0.050(3) Uani 1 1 d .
O1W O -0.5714(6) 0.5765(6) 0.0211(4) 0.062(3) Uani 1 1 d .
O2W O 0.2968(5) 0.6787(5) 0.0964(4) 0.042(3) Uani 1 1 d .
O3W O -0.1675(7) 0.8268(6) 0.0220(5) 0.081(4) Uani 1 1 d .
O4W O 0.6845(6) 0.5879(10) -0.4791(5) 0.117(7) Uani 1 1 d .
O5W O -0.2165(7) 0.8942(9) 0.1094(6) 0.109(6) Uani 1 1 d .
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'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 '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'
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
N2 Pt1 N1 80.8(3) . .
N2 Pt1 Cl2 95.6(2) . .
N1 Pt1 Cl2 176.3(2) . .
N2 Pt1 Cl1 175.1(2) . .
N1 Pt1 Cl1 95.4(2) . .
Cl2 Pt1 Cl1 88.26(9) . .
Cl2 Pt1 C6 150.9(2) . .
Cl1 Pt1 C6 120.6(2) . .
Cl2 Pt1 C7 121.1(2) . .
Cl1 Pt1 C7 150.3(2) . .
C6 Pt1 C7 29.9(3) . .
N2 Pt1 Pt2 88.5(2) . 6_655
N1 Pt1 Pt2 88.7(2) . 6_655
Cl2 Pt1 Pt2 90.95(7) . 6_655
Cl1 Pt1 Pt2 94.52(7) . 6_655
C6 Pt1 Pt2 90.1(2) . 6_655
C7 Pt1 Pt2 90.2(2) . 6_655
N2 Pt1 Pt3 84.2(2) . 4
N1 Pt1 Pt3 75.6(2) . 4
Cl2 Pt1 Pt3 104.46(7) . 4
Cl1 Pt1 Pt3 91.87(7) . 4
C6 Pt1 Pt3 73.6(2) . 4
C7 Pt1 Pt3 76.9(2) . 4
Pt2 Pt1 Pt3 163.496(16) 6_655 4
C4 N1 C6 119.8(9) . .
C4 N1 Pt1 125.6(7) . .
C6 N1 Pt1 114.6(6) . .
C10 N2 C7 118.2(9) . .
C10 N2 Pt1 126.4(7) . .
C7 N2 Pt1 115.3(7) . .
O1 C1 O2 126.4(10) . .
O1 C1 C2 119.0(9) . .
O2 C1 C2 114.6(9) . .
C4 C2 C3 121.3(10) . .
C4 C2 C1 118.8(10) . .
C3 C2 C1 119.9(9) . .
C5 C3 C2 118.2(9) . .
C5 C3 H3 120.9 . .
C2 C3 H3 120.9 . .
N1 C4 C2 120.2(10) . .
N1 C4 H4 119.9 . .
C2 C4 H4 119.9 . .
C3 C5 C6 119.5(9) . .
C3 C5 H5 120.3 . .
C6 C5 H5 120.3 . .
N1 C6 C5 121.0(9) . .
N1 C6 C7 116.0(8) . .
C5 C6 C7 123.0(9) . .
C5 C6 Pt1 160.9(7) . .
C7 C6 Pt1 76.1(5) . .
N2 C7 C8 122.4(9) . .
N2 C7 C6 113.1(9) . .
C8 C7 C6 124.4(9) . .
C8 C7 Pt1 161.5(7) . .
C6 C7 Pt1 74.1(5) . .
C7 C8 C9 118.5(10) . .
C7 C8 H8 120.7 . .
C9 C8 H8 120.7 . .
C8 C9 C11 119.6(10) . .
C8 C9 H9 120.2 . .
C11 C9 H9 120.2 . .
N2 C10 C11 122.7(9) . .
N2 C10 H10 118.7 . .
C11 C10 H10 118.7 . .
C10 C11 C9 118.6(9) . .
C10 C11 C12 119.3(9) . .
C9 C11 C12 121.9(10) . .
O4 C12 O3 120.0(9) . .
O4 C12 C11 119.4(9) . .
O3 C12 C11 120.6(9) . .
O4 C12 Y1 59.3(5) . 6_655
O3 C12 Y1 61.7(5) . 6_655
C11 C12 Y1 169.7(8) . 6_655
C1 O1 Y1 164.6(8) . .
C1 O2 Y2 157.0(7) . .
C12 O3 Y1 91.5(6) . 6_655
C12 O4 Y1 94.0(6) . 6_655
N4 Pt2 N3 80.1(3) . .
N4 Pt2 Cl3 175.4(3) . .
N3 Pt2 Cl3 95.8(2) . .
N4 Pt2 Cl4 95.3(2) . .
N3 Pt2 Cl4 174.9(3) . .
Cl3 Pt2 Cl4 88.68(10) . .
N4 Pt2 Pt1 87.9(2) . 6
N3 Pt2 Pt1 91.2(3) . 6
Cl3 Pt2 Pt1 94.19(8) . 6
Cl4 Pt2 Pt1 90.94(8) . 6
C22 N3 C19 118.3(9) . .
C22 N3 Pt2 127.0(7) . .
C19 N3 Pt2 114.7(7) . .
C15 N4 C18 120.5(9) . .
C15 N4 Pt2 125.2(7) . .
C18 N4 Pt2 114.3(7) . .
O5 C13 O6 125.7(12) . .
O5 C13 C14 118.6(11) . .
O6 C13 C14 115.8(11) . .
C16 C14 C15 118.9(10) . .
C16 C14 C13 120.9(10) . .
C15 C14 C13 120.2(11) . .
N4 C15 C14 121.7(10) . .
N4 C15 H15 119.1 . .
C14 C15 H15 119.1 . .
C17 C16 C14 117.9(10) . .
C17 C16 H16 121.1 . .
C14 C16 H16 121.1 . .
C16 C17 C18 121.4(10) . .
C16 C17 H17 119.3 . .
C18 C17 H17 119.3 . .
N4 C18 C17 119.5(10) . .
N4 C18 C19 116.5(9) . .
C17 C18 C19 124.0(10) . .
N3 C19 C20 121.7(10) . .
N3 C19 C18 114.4(9) . .
C20 C19 C18 123.8(9) . .
C21 C20 C19 118.5(9) . .
C21 C20 H20 120.7 . .
C19 C20 H20 120.7 . .
C20 C21 C23 119.3(10) . .
C20 C21 H21 120.4 . .
C23 C21 H21 120.4 . .
N3 C22 C23 124.2(9) . .
N3 C22 H22 117.9 . .
C23 C22 H22 117.9 . .
C22 C23 C21 118.0(10) . .
C22 C23 C24 121.9(10) . .
C21 C23 C24 120.1(9) . .
O8 C24 O7 124.8(10) . .
O8 C24 C23 119.1(9) . .
O7 C24 C23 116.1(9) . .
C13 O5 Y2 148.9(8) . 2_564
C24 O7 Y1 136.5(7) . .
N6 Pt3 N5 80.2(3) . .
N6 Pt3 Cl6 175.5(2) . .
N5 Pt3 Cl6 95.7(3) . .
N6 Pt3 Cl5 95.7(2) . .
N5 Pt3 Cl5 174.9(3) . .
Cl6 Pt3 Cl5 88.47(10) . .
N6 Pt3 Pt1 82.7(2) . 4_455
N5 Pt3 Pt1 74.6(3) . 4_455
Cl6 Pt3 Pt1 94.34(8) . 4_455
Cl5 Pt3 Pt1 108.05(8) . 4_455
C34 N5 C31 118.8(9) . .
C34 N5 Pt3 124.9(7) . .
C31 N5 Pt3 116.2(7) . .
C28 N6 C30 119.8(9) . .
C28 N6 Pt3 125.3(7) . .
C30 N6 Pt3 114.8(7) . .
O10 C25 O9 122.1(10) . .
O10 C25 C26 119.2(9) . .
O9 C25 C26 118.7(9) . .
O10 C25 Y2 61.5(5) . 6_556
O9 C25 Y2 60.6(5) . 6_556
C26 C25 Y2 177.4(8) . 6_556
C27 C26 C28 118.7(10) . .
C27 C26 C25 122.2(10) . .
C28 C26 C25 119.0(9) . .
C26 C27 C29 119.1(10) . .
C26 C27 H27 120.4 . .
C29 C27 H27 120.4 . .
N6 C28 C26 121.1(9) . .
N6 C28 H28 119.4 . .
C26 C28 H28 119.4 . .
C30 C29 C27 119.8(11) . .
C30 C29 H29 120.1 . .
C27 C29 H29 120.1 . .
C29 C30 N6 121.2(10) . .
C29 C30 C31 124.1(9) . .
N6 C30 C31 114.7(9) . .
N5 C31 C32 124.0(9) . .
N5 C31 C30 113.6(9) . .
C32 C31 C30 122.3(9) . .
C31 C32 C33 116.4(9) . .
C31 C32 H32 121.8 . .
C33 C32 H32 121.8 . .
C35 C33 C32 119.6(9) . .
C35 C33 H33 120.2 . .
C32 C33 H33 120.2 . .
N5 C34 C35 120.7(9) . .
N5 C34 H34 119.7 . .
C35 C34 H34 119.7 . .
C33 C35 C34 120.3(9) . .
C33 C35 C36 121.5(9) . .
C34 C35 C36 118.2(9) . .
O12 C36 O11 126.3(10) . .
O12 C36 C35 115.8(9) . .
O11 C36 C35 117.8(9) . .
C25 O9 Y2 92.6(6) . 6_556
C25 O10 Y2 92.1(6) . 6_556
C36 O11 Y1 144.0(7) . .
C36 O12 Y2 170.3(7) . .
O1 Y1 O11 87.4(3) . .
O1 Y1 O7 93.4(3) . .
O11 Y1 O7 146.2(3) . .
O1 Y1 OW1 156.7(3) . .
O11 Y1 OW1 79.8(3) . .
O7 Y1 OW1 86.9(3) . .
O1 Y1 OW3 92.9(3) . .
O11 Y1 OW3 67.2(3) . .
O7 Y1 OW3 146.2(3) . .
OW1 Y1 OW3 99.8(3) . .
O1 Y1 OW2 80.5(3) . .
O11 Y1 OW2 72.8(3) . .
O7 Y1 OW2 74.0(3) . .
OW1 Y1 OW2 77.2(3) . .
OW3 Y1 OW2 139.8(3) . .
O1 Y1 O4 76.2(3) . 6
O11 Y1 O4 137.0(3) . 6
O7 Y1 O4 75.2(3) . 6
OW1 Y1 O4 125.9(3) . 6
OW3 Y1 O4 74.1(3) . 6
OW2 Y1 O4 139.9(3) . 6
O1 Y1 O3 129.3(3) . 6
O11 Y1 O3 125.3(3) . 6
O7 Y1 O3 79.1(3) . 6
OW1 Y1 O3 73.7(3) . 6
OW3 Y1 O3 71.4(3) . 6
OW2 Y1 O3 141.1(3) . 6
O4 Y1 O3 53.2(2) 6 6
O1 Y1 C12 102.9(3) . 6
O11 Y1 C12 139.8(3) . 6
O7 Y1 C12 72.8(3) . 6
OW1 Y1 C12 99.4(3) . 6
OW3 Y1 C12 73.5(3) . 6
OW2 Y1 C12 146.8(3) . 6
O4 Y1 C12 26.6(3) 6 6
O3 Y1 C12 26.8(3) 6 6
O2 Y2 O12 85.2(3) . .
O2 Y2 O5 86.1(3) . 2_565
O12 Y2 O5 75.2(4) . 2_565
O2 Y2 OW6 90.4(3) . .
O12 Y2 OW6 143.5(4) . .
O5 Y2 OW6 68.4(4) 2_565 .
O2 Y2 OW5 97.3(3) . .
O12 Y2 OW5 71.4(3) . .
O5 Y2 OW5 145.9(3) 2_565 .
OW6 Y2 OW5 144.9(3) . .
O2 Y2 OW4 73.6(3) . .
O12 Y2 OW4 134.9(3) . .
O5 Y2 OW4 139.7(3) 2_565 .
OW6 Y2 OW4 77.2(4) . .
OW5 Y2 OW4 72.4(3) . .
O2 Y2 O9 163.0(3) . 6_656
O12 Y2 O9 78.4(3) . 6_656
O5 Y2 O9 85.1(3) 2_565 6_656
OW6 Y2 O9 99.7(3) . 6_656
OW5 Y2 O9 82.2(3) . 6_656
OW4 Y2 O9 121.8(3) . 6_656
O2 Y2 O10 143.6(3) . 6_656
O12 Y2 O10 126.1(3) . 6_656
O5 Y2 O10 117.1(3) 2_565 6_656
OW6 Y2 O10 74.6(3) . 6_656
OW5 Y2 O10 79.1(3) . 6_656
OW4 Y2 O10 70.8(3) . 6_656
O9 Y2 O10 53.2(2) 6_656 6_656
O2 Y2 C25 169.9(3) . 6_656
O12 Y2 C25 103.0(3) . 6_656
O5 Y2 C25 101.7(3) 2_565 6_656
OW6 Y2 C25 86.4(3) . 6_656
OW5 Y2 C25 80.0(3) . 6_656
OW4 Y2 C25 96.3(3) . 6_656
O9 Y2 C25 26.8(3) 6_656 6_656
O10 Y2 C25 26.4(3) 6_656 6_656
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 N2 2.016(8) .
Pt1 N1 2.020(8) .
Pt1 Cl2 2.308(2) .
Pt1 Cl1 2.309(3) .
Pt1 Pt2 3.2553(9) 6_655
Pt1 Pt3 3.4911(9) 4
N1 C4 1.346(13) .
N1 C6 1.352(13) .
N2 C10 1.340(13) .
N2 C7 1.379(12) .
C1 O1 1.228(12) .
C1 O2 1.281(12) .
C1 C2 1.526(15) .
C2 C4 1.375(14) .
C2 C3 1.379(14) .
C3 C5 1.370(14) .
C3 H3 0.9500 .
C4 H4 0.9500 .
C5 C6 1.396(13) .
C5 H5 0.9500 .
C6 C7 1.481(14) .
C7 C8 1.383(14) .
C8 C9 1.393(14) .
C8 H8 0.9500 .
C9 C11 1.400(14) .
C9 H9 0.9500 .
C10 C11 1.391(14) .
C10 H10 0.9500 .
C11 C12 1.484(13) .
C12 O4 1.272(12) .
C12 O3 1.278(12) .
O1 Y1 2.247(7) .
O2 Y2 2.225(7) .
O3 Y1 2.492(7) 6_655
O4 Y1 2.440(7) 6_655
Pt2 N4 2.016(8) .
Pt2 N3 2.037(9) .
Pt2 Cl3 2.299(3) .
Pt2 Cl4 2.311(3) .
N3 C22 1.347(12) .
N3 C19 1.348(13) .
N4 C15 1.342(13) .
N4 C18 1.346(13) .
C13 O5 1.237(15) .
C13 O6 1.244(15) .
C13 C14 1.509(16) .
C14 C16 1.392(16) .
C14 C15 1.395(15) .
C15 H15 0.9500 .
C16 C17 1.384(15) .
C16 H16 0.9500 .
C17 C18 1.390(14) .
C17 H17 0.9500 .
C18 C19 1.451(15) .
C19 C20 1.403(15) .
C20 C21 1.393(15) .
C20 H20 0.9500 .
C21 C23 1.407(15) .
C21 H21 0.9500 .
C22 C23 1.358(14) .
C22 H22 0.9500 .
C23 C24 1.511(14) .
C24 O8 1.238(12) .
C24 O7 1.303(12) .
O5 Y2 2.313(10) 2_564
O7 Y1 2.324(8) .
Pt3 N6 2.027(9) .
Pt3 N5 2.027(8) .
Pt3 Cl6 2.308(3) .
Pt3 Cl5 2.313(3) .
N5 C34 1.342(13) .
N5 C31 1.356(13) .
N6 C28 1.345(13) .
N6 C30 1.371(13) .
C25 O10 1.249(12) .
C25 O9 1.269(13) .
C25 C26 1.499(14) .
C26 C27 1.380(14) .
C26 C28 1.408(14) .
C27 C29 1.409(14) .
C27 H27 0.9500 .
C28 H28 0.9500 .
C29 C30 1.355(15) .
C29 H29 0.9500 .
C30 C31 1.494(14) .
C31 C32 1.374(14) .
C32 C33 1.417(14) .
C32 H32 0.9500 .
C33 C35 1.370(14) .
C33 H33 0.9500 .
C34 C35 1.392(13) .
C34 H34 0.9500 .
C35 C36 1.517(14) .
C36 O12 1.245(12) .
C36 O11 1.253(12) .
O9 Y2 2.451(7) 6_556
O10 Y2 2.471(7) 6_556
O11 Y1 2.304(7) .
O12 Y2 2.259(7) .
Y1 OW1 2.341(7) .
Y1 OW3 2.371(8) .
Y1 OW2 2.387(8) .
Y1 O4 2.440(7) 6
Y1 O3 2.492(7) 6
Y2 O5 2.313(10) 2_565
Y2 OW6 2.355(9) .
Y2 OW5 2.355(9) .
Y2 OW4 2.436(8) .
Y2 O9 2.451(7) 6_656
Y2 O10 2.471(7) 6_656
