#------------------------------------------------------------------------------
#$Date: 2016-04-05 19:15:33 +0300 (Tue, 05 Apr 2016) $
#$Revision: 181663 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/85/7038518.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_7038518
loop_
_publ_author_name
'Nishihara, Kazuki'
'Ueda, Misa'
'Higashitani, Ami'
'Nakao, Yoshihide'
'Arikawa, Yasuhiro'
'Horiuchi, Shinnosuke'
'Sakuda, Eri'
'Umakoshi, Keisuke'
_publ_section_title
;
 Different structural preference of Ag(i) and Au(i) in neutral and
 cationic luminescent heteropolynuclear platinum(ii) complexes: Z
 (U)-shaped Pt2M2 type vs. trinuclear PtM2 type.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4978
_journal_page_last               4982
_journal_paper_doi               10.1039/c6dt00320f
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C44 H48 Ag2 Cl4 N10 Pt2'
_chemical_formula_sum            'C44 H48 Ag2 Cl4 N10 Pt2'
_chemical_formula_weight         1464.66
_chemical_name_systematic        '[Pt2Ag2(ppy)2(Me2pz)4]'
_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_update_record
;
2015-11-25 deposited with the CCDC.
2016-02-22 downloaded from the CCDC.
;
_cell_angle_alpha                114.5444(19)
_cell_angle_beta                 103.778(3)
_cell_angle_gamma                100.7253(17)
_cell_formula_units_Z            1
_cell_length_a                   9.481(2)
_cell_length_b                   11.831(3)
_cell_length_c                   12.311(4)
_cell_measurement_reflns_used    4422
_cell_measurement_temperature    93
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      3.05
_cell_volume                     1154.8(5)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 7.111
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_av_sigmaI/netI    0.0453
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            14397
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.123
_exptl_absorpt_correction_T_max  0.277
_exptl_absorpt_correction_T_min  0.224
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.106
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             700.00
_exptl_crystal_preparation       Luminescent
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: dichloromethane/n-hexane'
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.180
_refine_diff_density_max         0.860
_refine_diff_density_min         -0.690
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.909
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     284
_refine_ls_number_reflns         5272
_refine_ls_number_restraints     12
_refine_ls_R_factor_gt           0.0181
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0069P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0355
_reflns_number_gt                4738
_reflns_number_total             5272
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            c6dt00320f2.cif
_cod_data_source_block           2a
_cod_depositor_comments
'Adding full bibliography for 7038518--7038524.cif.'
_cod_database_code               7038518
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -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
Pt1 Pt 0.632442(12) 0.285568(11) 0.099434(10) 0.01232(4) Uani 1.0 2 d .
Ag1 Ag 0.37245(2) 0.03238(2) 0.06028(2) 0.01771(6) Uani 1.0 2 d .
Cl1 Cl 0.70740(11) -0.00160(9) 0.35244(10) 0.0522(3) Uani 1.0 2 d .
Cl2 Cl 0.99614(10) 0.19121(9) 0.54403(9) 0.0443(3) Uani 1.0 2 d .
N11 N 0.6575(3) 0.2750(3) -0.0608(3) 0.0151(6) Uani 0.5000 2 d .
N21 N 0.4450(3) 0.3266(3) 0.0335(3) 0.0142(6) Uani 0.5000 2 d .
N31 N 0.5897(3) 0.2959(3) 0.2586(2) 0.0133(6) Uani 1.0 2 d .
N32 N 0.4949(3) 0.1845(3) 0.2468(2) 0.0150(6) Uani 1.0 2 d .
N41 N 0.8242(3) 0.2381(3) 0.1532(2) 0.0138(6) Uani 1.0 2 d .
N42 N 0.8085(3) 0.1076(3) 0.1089(2) 0.0151(6) Uani 1.0 2 d .
C1 C 0.8328(4) 0.1573(3) 0.4167(3) 0.0261(8) Uani 1.0 2 d .
C11 C 0.6575(3) 0.2750(3) -0.0608(3) 0.0151(6) Uani 0.5000 2 d .
C12 C 0.5424(4) 0.2975(3) -0.1347(3) 0.0158(7) Uani 1.0 2 d .
C13 C 0.5462(4) 0.2922(3) -0.2485(3) 0.0220(8) Uani 1.0 2 d .
C14 C 0.6644(4) 0.2637(3) -0.2902(3) 0.0239(8) Uani 1.0 2 d .
C15 C 0.7810(4) 0.2424(3) -0.2168(3) 0.0212(7) Uani 1.0 2 d .
C16 C 0.7759(4) 0.2489(3) -0.1022(3) 0.0189(7) Uani 1.0 2 d .
C21 C 0.4450(3) 0.3266(3) 0.0335(3) 0.0142(6) Uani 0.5000 2 d .
C22 C 0.4234(4) 0.3278(3) -0.0803(3) 0.0165(7) Uani 1.0 2 d .
C23 C 0.2992(4) 0.3568(3) -0.1350(3) 0.0205(7) Uani 1.0 2 d .
C24 C 0.1952(4) 0.3864(3) -0.0749(3) 0.0235(8) Uani 1.0 2 d .
C25 C 0.2158(4) 0.3859(3) 0.0400(3) 0.0231(8) Uani 1.0 2 d .
C26 C 0.3403(4) 0.3565(3) 0.0931(3) 0.0208(7) Uani 1.0 2 d .
C33 C 0.4754(4) 0.2168(3) 0.3600(3) 0.0163(7) Uani 1.0 2 d .
C34 C 0.5577(4) 0.3479(3) 0.4446(3) 0.0170(7) Uani 1.0 2 d .
C35 C 0.6269(3) 0.3949(3) 0.3775(3) 0.0157(7) Uani 1.0 2 d .
C36 C 0.3778(4) 0.1154(3) 0.3780(3) 0.0219(7) Uani 1.0 2 d .
C37 C 0.7251(4) 0.5293(3) 0.4166(3) 0.0200(7) Uani 1.0 2 d .
C43 C 0.9476(4) 0.0989(3) 0.1576(3) 0.0188(7) Uani 1.0 2 d .
C44 C 1.0534(4) 0.2244(3) 0.2327(3) 0.0195(7) Uani 1.0 2 d .
C45 C 0.9709(4) 0.3099(3) 0.2279(3) 0.0162(7) Uani 1.0 2 d .
C46 C 0.9684(4) -0.0310(3) 0.1289(3) 0.0276(8) Uani 1.0 2 d .
C47 C 1.0233(4) 0.4552(3) 0.2895(3) 0.0233(8) Uani 1.0 2 d .
H1A H 0.7789 0.2215 0.4476 0.0314 Uiso 1.0 2 calc R
H1B H 0.8651 0.1668 0.3494 0.0314 Uiso 1.0 2 calc R
H13 H 0.4670 0.3082 -0.2980 0.0264 Uiso 1.0 2 calc R
H14 H 0.6658 0.2587 -0.3690 0.0287 Uiso 1.0 2 calc R
H15 H 0.8634 0.2235 -0.2442 0.0254 Uiso 1.0 2 calc R
H16 H 0.8562 0.2349 -0.0515 0.0226 Uiso 1.0 2 calc R
H23 H 0.2856 0.3562 -0.2142 0.0246 Uiso 1.0 2 calc R
H24 H 0.1104 0.4068 -0.1119 0.0282 Uiso 1.0 2 calc R
H25 H 0.1448 0.4056 0.0822 0.0277 Uiso 1.0 2 calc R
H26 H 0.3542 0.3570 0.1724 0.0249 Uiso 1.0 2 calc R
H34 H 0.5652 0.3959 0.5308 0.0204 Uiso 1.0 2 calc R
H36A H 0.4420 0.0994 0.4417 0.0262 Uiso 1.0 2 calc R
H36B H 0.3292 0.0336 0.2968 0.0262 Uiso 1.0 2 calc R
H36C H 0.2983 0.1470 0.4074 0.0262 Uiso 1.0 2 calc R
H37A H 0.7294 0.5356 0.3405 0.0239 Uiso 1.0 2 calc R
H37B H 0.8289 0.5463 0.4713 0.0239 Uiso 1.0 2 calc R
H37C H 0.6815 0.5942 0.4638 0.0239 Uiso 1.0 2 calc R
H44 H 1.1596 0.2474 0.2779 0.0234 Uiso 1.0 2 calc R
H46A H 1.0677 -0.0301 0.1181 0.0332 Uiso 1.0 2 calc R
H46B H 0.8859 -0.0998 0.0501 0.0332 Uiso 1.0 2 calc R
H46C H 0.9653 -0.0486 0.1995 0.0332 Uiso 1.0 2 calc R
H47A H 0.9611 0.4830 0.2358 0.0279 Uiso 1.0 2 calc R
H47B H 1.1313 0.4873 0.3001 0.0279 Uiso 1.0 2 calc R
H47C H 1.0119 0.4913 0.3732 0.0279 Uiso 1.0 2 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.7033 8.3905
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
C C 0.0033 0.0016
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ag Ag -0.8971 1.1015
;
International Tables for Crystallography
(1992, 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_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N11 Pt1 N31 175.62(11) yes . .
N11 Pt1 N41 94.84(12) yes . .
N11 Pt1 C21 81.05(13) yes . .
N21 Pt1 N31 94.70(12) yes . .
N21 Pt1 N41 175.69(11) yes . .
N21 Pt1 C11 81.05(13) yes . .
N31 Pt1 N41 89.38(11) yes . .
N31 Pt1 C11 175.62(11) yes . .
N31 Pt1 C21 94.70(12) yes . .
N41 Pt1 C11 94.84(12) yes . .
N41 Pt1 C21 175.69(11) yes . .
N32 Ag1 N42 161.89(11) yes . 2_655
Pt1 N11 C12 115.1(3) yes . .
Pt1 N11 C16 126.4(3) yes . .
C12 N11 C16 118.5(3) yes . .
Pt1 N21 C22 115.6(3) yes . .
Pt1 N21 C26 126.2(3) yes . .
C22 N21 C26 118.2(3) yes . .
Pt1 N31 N32 117.91(15) yes . .
Pt1 N31 C35 133.3(3) yes . .
N32 N31 C35 108.6(3) yes . .
Ag1 N32 N31 116.00(19) yes . .
Ag1 N32 C33 133.87(19) yes . .
N31 N32 C33 107.4(2) yes . .
Pt1 N41 N42 117.63(15) yes . .
Pt1 N41 C45 133.3(3) yes . .
N42 N41 C45 109.0(3) yes . .
Ag1 N42 N41 119.18(19) yes 2_655 .
Ag1 N42 C43 127.93(19) yes 2_655 .
N41 N42 C43 107.7(2) yes . .
Cl1 C1 Cl2 111.2(3) yes . .
Pt1 C11 C12 115.1(3) yes . .
Pt1 C11 C16 126.4(3) yes . .
C12 C11 C16 118.5(3) yes . .
N11 C12 C13 120.6(3) yes . .
N11 C12 C22 114.2(3) yes . .
C11 C12 C13 120.6(3) yes . .
C11 C12 C22 114.2(3) yes . .
C13 C12 C22 125.2(3) yes . .
C12 C13 C14 120.4(4) yes . .
C13 C14 C15 119.7(4) yes . .
C14 C15 C16 119.2(4) yes . .
N11 C16 C15 121.6(3) yes . .
C11 C16 C15 121.6(3) yes . .
Pt1 C21 C22 115.6(3) yes . .
Pt1 C21 C26 126.2(3) yes . .
C22 C21 C26 118.2(3) yes . .
N21 C22 C12 114.1(3) yes . .
N21 C22 C23 121.1(4) yes . .
C12 C22 C21 114.1(3) yes . .
C12 C22 C23 124.8(4) yes . .
C21 C22 C23 121.1(4) yes . .
C22 C23 C24 120.3(4) yes . .
C23 C24 C25 119.2(4) yes . .
C24 C25 C26 119.7(4) yes . .
N21 C26 C25 121.4(4) yes . .
C21 C26 C25 121.4(4) yes . .
N32 C33 C34 109.3(3) yes . .
N32 C33 C36 120.3(3) yes . .
C34 C33 C36 130.4(3) yes . .
C33 C34 C35 105.9(3) yes . .
N31 C35 C34 108.8(3) yes . .
N31 C35 C37 120.6(4) yes . .
C34 C35 C37 130.6(3) yes . .
N42 C43 C44 109.1(3) yes . .
N42 C43 C46 120.9(3) yes . .
C44 C43 C46 130.0(3) yes . .
C43 C44 C45 105.6(3) yes . .
N41 C45 C44 108.5(3) yes . .
N41 C45 C47 121.5(3) yes . .
C44 C45 C47 130.0(3) yes . .
Cl1 C1 H1A 109.387 no . .
Cl1 C1 H1B 109.390 no . .
Cl2 C1 H1A 109.389 no . .
Cl2 C1 H1B 109.391 no . .
H1A C1 H1B 108.013 no . .
C12 C13 H13 119.820 no . .
C14 C13 H13 119.829 no . .
C13 C14 H14 120.153 no . .
C15 C14 H14 120.151 no . .
C14 C15 H15 120.392 no . .
C16 C15 H15 120.388 no . .
N11 C16 H16 119.225 no . .
C11 C16 H16 119.225 no . .
C15 C16 H16 119.214 no . .
C22 C23 H23 119.865 no . .
C24 C23 H23 119.874 no . .
C23 C24 H24 120.397 no . .
C25 C24 H24 120.383 no . .
C24 C25 H25 120.128 no . .
C26 C25 H25 120.127 no . .
N21 C26 H26 119.280 no . .
C21 C26 H26 119.280 no . .
C25 C26 H26 119.280 no . .
C33 C34 H34 127.035 no . .
C35 C34 H34 127.042 no . .
C33 C36 H36A 109.476 no . .
C33 C36 H36B 109.476 no . .
C33 C36 H36C 109.467 no . .
H36A C36 H36B 109.471 no . .
H36A C36 H36C 109.469 no . .
H36B C36 H36C 109.469 no . .
C35 C37 H37A 109.470 no . .
C35 C37 H37B 109.470 no . .
C35 C37 H37C 109.473 no . .
H37A C37 H37B 109.472 no . .
H37A C37 H37C 109.467 no . .
H37B C37 H37C 109.476 no . .
C43 C44 H44 127.186 no . .
C45 C44 H44 127.184 no . .
C43 C46 H46A 109.474 no . .
C43 C46 H46B 109.472 no . .
C43 C46 H46C 109.475 no . .
H46A C46 H46B 109.471 no . .
H46A C46 H46C 109.468 no . .
H46B C46 H46C 109.467 no . .
C45 C47 H47A 109.475 no . .
C45 C47 H47B 109.475 no . .
C45 C47 H47C 109.469 no . .
H47A C47 H47B 109.475 no . .
H47A C47 H47C 109.466 no . .
H47B C47 H47C 109.467 no . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
Pt1 N11 1.998(4) yes .
Pt1 N21 2.003(3) yes .
Pt1 N31 2.053(3) yes .
Pt1 N41 2.043(3) yes .
Pt1 C11 1.998(4) yes .
Pt1 C21 2.003(3) yes .
Ag1 N32 2.0926(19) yes .
Ag1 N42 2.0971(18) yes 2_655
Cl1 C1 1.748(4) yes .
Cl2 C1 1.762(4) yes .
N11 C12 1.388(5) yes .
N11 C16 1.373(5) yes .
N21 C22 1.373(5) yes .
N21 C26 1.383(5) yes .
N31 N32 1.379(4) yes .
N31 C35 1.348(4) yes .
N32 C33 1.353(5) yes .
N41 N42 1.371(4) yes .
N41 C45 1.343(4) yes .
N42 C43 1.354(5) yes .
C11 C12 1.388(5) yes .
C11 C16 1.373(5) yes .
C12 C13 1.385(5) yes .
C12 C22 1.470(5) yes .
C13 C14 1.380(6) yes .
C14 C15 1.386(5) yes .
C15 C16 1.393(6) yes .
C21 C22 1.373(5) yes .
C21 C26 1.383(5) yes .
C22 C23 1.387(5) yes .
C23 C24 1.380(5) yes .
C24 C25 1.383(6) yes .
C25 C26 1.384(5) yes .
C33 C34 1.386(4) yes .
C33 C36 1.500(5) yes .
C34 C35 1.387(6) yes .
C35 C37 1.492(5) yes .
C43 C44 1.388(4) yes .
C43 C46 1.491(6) yes .
C44 C45 1.400(6) yes .
C45 C47 1.482(5) yes .
C1 H1A 0.990 no .
C1 H1B 0.990 no .
C13 H13 0.950 no .
C14 H14 0.950 no .
C15 H15 0.950 no .
C16 H16 0.950 no .
C23 H23 0.950 no .
C24 H24 0.950 no .
C25 H25 0.950 no .
C26 H26 0.950 no .
C34 H34 0.950 no .
C36 H36A 0.980 no .
C36 H36B 0.980 no .
C36 H36C 0.980 no .
C37 H37A 0.980 no .
C37 H37B 0.980 no .
C37 H37C 0.980 no .
C44 H44 0.950 no .
C46 H46A 0.980 no .
C46 H46B 0.980 no .
C46 H46C 0.980 no .
C47 H47A 0.980 no .
C47 H47B 0.980 no .
C47 H47C 0.980 no .
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_2
Pt1 Ag1 3.2815(7) no .
Pt1 Ag1 3.4301(8) no 2_655
Pt1 C37 3.522(3) no .
Pt1 C47 3.526(3) no .
Ag1 Ag1 3.1772(7) no 2_655
Ag1 N11 3.598(4) no 2_655
Ag1 N21 3.587(4) no .
Ag1 C11 3.598(4) no 2_655
Ag1 C21 3.587(4) no .
Ag1 C46 3.498(4) no 2_655
N11 C14 2.789(5) no .
N21 C24 2.792(5) no .
N31 N42 3.577(4) no .
N31 C26 3.131(5) no .
N32 C26 3.585(5) no .
N41 C16 3.127(5) no .
C11 C14 2.789(5) no .
C12 C15 2.766(5) no .
C13 C16 2.750(5) no .
C13 C23 3.060(5) no .
C21 C24 2.792(5) no .
C22 C25 2.754(5) no .
C23 C26 2.744(6) no .
Cl1 C12 3.339(3) no 2_655
Cl1 C13 3.323(4) no 2_655
N11 C24 3.469(4) no 2_665
N21 C23 3.573(4) no 2_665
N32 C1 3.535(5) no .
N42 C1 3.528(5) no .
C1 N32 3.535(5) no .
C1 N42 3.528(5) no .
C1 C33 3.555(5) no .
C1 C43 3.456(6) no .
C11 C24 3.469(4) no 2_665
C12 Cl1 3.339(3) no 2_655
C12 C24 3.507(4) no 2_665
C12 C25 3.542(5) no 2_665
C13 Cl1 3.323(4) no 2_655
C13 C25 3.480(4) no 2_665
C13 C26 3.583(5) no 2_665
C21 C23 3.573(4) no 2_665
C22 C22 3.516(4) no 2_665
C22 C23 3.561(4) no 2_665
C23 N21 3.573(4) no 2_665
C23 C21 3.573(4) no 2_665
C23 C22 3.561(4) no 2_665
C24 N11 3.469(4) no 2_665
C24 C11 3.469(4) no 2_665
C24 C12 3.507(4) no 2_665
C25 C12 3.542(5) no 2_665
C25 C13 3.480(4) no 2_665
C26 C13 3.583(5) no 2_665
C33 C1 3.555(5) no .
C43 C1 3.456(6) no .
C43 C46 3.596(6) no 2_755
C46 C43 3.596(6) no 2_755
Pt1 H16 3.1208 no .
Pt1 H26 3.1316 no .
Pt1 H37A 2.9663 no .
Pt1 H47A 3.0869 no .
Ag1 H16 3.4297 no 2_655
Ag1 H26 3.5560 no .
Ag1 H36B 3.0297 no .
Ag1 H46B 2.9202 no 2_655
N11 H13 3.2638 no .
N11 H15 3.2681 no .
N11 H47A 3.5445 no .
N21 H23 3.2556 no .
N21 H25 3.2673 no .
N21 H37A 3.5455 no .
N21 H46B 3.3372 no 2_655
N31 H26 2.5967 no .
N31 H34 3.1406 no .
N31 H37A 2.5307 no .
N31 H37B 3.0004 no .
N31 H37C 3.1624 no .
N32 H26 2.9613 no .
N32 H34 3.1507 no .
N32 H36A 3.0693 no .
N32 H36B 2.5228 no .
N32 H36C 3.1236 no .
N41 H16 2.5948 no .
N41 H44 3.1437 no .
N41 H47A 2.5768 no .
N41 H47B 3.2102 no .
N41 H47C 2.9078 no .
N42 H16 3.0021 no .
N42 H44 3.1522 no .
N42 H46A 3.1964 no .
N42 H46B 2.5558 no .
N42 H46C 2.9687 no .
C11 H13 3.2638 no .
C11 H15 3.2681 no .
C11 H47A 3.5445 no .
C12 H14 3.2563 no .
C12 H16 3.2325 no .
C12 H23 2.7255 no .
C13 H15 3.2521 no .
C13 H23 2.7904 no .
C14 H16 3.2521 no .
C14 H36B 3.4965 no 2_655
C15 H13 3.2496 no .
C15 H36B 2.8791 no 2_655
C16 H14 3.2589 no .
C16 H36B 2.9784 no 2_655
C21 H23 3.2556 no .
C21 H25 3.2673 no .
C21 H37A 3.5455 no .
C21 H46B 3.3372 no 2_655
C22 H13 2.7312 no .
C22 H24 3.2588 no .
C22 H26 3.2229 no .
C23 H13 2.7922 no .
C23 H25 3.2439 no .
C24 H26 3.2475 no .
C24 H46B 3.4895 no 2_655
C24 H46C 3.4884 no 2_655
C25 H23 3.2429 no .
C25 H46B 2.9614 no 2_655
C25 H46C 3.5815 no 2_655
C26 H24 3.2544 no .
C26 H46B 2.8740 no 2_655
C33 H26 3.4695 no .
C34 H26 3.5012 no .
C34 H36A 2.9239 no .
C34 H36B 3.3672 no .
C34 H36C 2.8797 no .
C34 H37A 3.3510 no .
C34 H37B 2.9890 no .
C34 H37C 2.8188 no .
C35 H26 2.9629 no .
C36 H34 2.9553 no .
C37 H26 3.5726 no .
C37 H34 2.9548 no .
C37 H47A 3.4760 no .
C37 H47C 2.9720 no .
C43 H16 3.5860 no .
C44 H46A 2.7910 no .
C44 H46B 3.3401 no .
C44 H46C 3.0053 no .
C44 H47A 3.3239 no .
C44 H47B 2.7599 no .
C44 H47C 3.0604 no .
C45 H16 3.0213 no .
C46 H44 2.9454 no .
C47 H37A 3.2232 no .
C47 H37B 3.2041 no .
C47 H44 2.9518 no .
H13 H14 2.3298 no .
H13 H23 2.2515 no .
H14 H15 2.3437 no .
H15 H16 2.3377 no .
H15 H36B 2.9568 no 2_655
H16 H36B 3.1176 no 2_655
H16 H47A 3.2757 no .
H23 H24 2.3337 no .
H24 H25 2.3406 no .
H25 H26 2.3257 no .
H25 H46B 3.2107 no 2_655
H26 H37A 3.3855 no .
H26 H46B 3.0778 no 2_655
H34 H36A 3.0887 no .
H34 H36C 3.0099 no .
H34 H37B 3.2018 no .
H34 H37C 2.9124 no .
H37A H47A 2.8409 no .
H37A H47C 2.7927 no .
H37B H47A 3.2887 no .
H37B H47C 2.3788 no .
H44 H46A 2.8571 no .
H44 H46C 3.2454 no .
H44 H47B 2.8061 no .
H44 H47C 3.3368 no .
Ag1 H46A 3.1664 no 1_455
Cl1 H13 3.4004 no 2_655
Cl1 H36A 3.2119 no .
Cl1 H46C 3.4145 no .
Cl2 H15 3.0724 no 1_556
Cl2 H23 3.0802 no 1_656
Cl2 H37A 3.2450 no 2_766
Cl2 H37B 3.3395 no 2_766
Cl2 H47A 3.5471 no 2_766
Cl2 H47C 3.4814 no 2_766
N11 H24 3.4013 no 2_665
N21 H23 3.5139 no 2_665
N31 H1A 3.1161 no .
N31 H1B 3.4517 no .
N32 H1A 3.0075 no .
N32 H1B 3.5127 no .
N32 H44 3.4691 no 1_455
N41 H1B 2.8397 no .
N42 H1B 2.6317 no .
N42 H46A 3.1401 no 2_755
C1 H14 3.3122 no 1_556
C1 H46C 3.4623 no .
C11 H24 3.4013 no 2_665
C13 H25 3.5671 no 2_665
C13 H34 3.4412 no 1_554
C13 H36A 3.2956 no 1_554
C14 H1A 3.5180 no 1_554
C14 H25 3.4608 no 2_665
C14 H34 3.2569 no 1_554
C14 H36A 2.9907 no 1_554
C14 H47B 3.2766 no 2_765
C15 H24 2.9895 no 1_655
C15 H46A 3.5890 no 2_755
C16 H24 3.4243 no 1_655
C16 H24 3.5768 no 2_665
C16 H25 3.3365 no 1_655
C16 H46A 3.1749 no 2_755
C21 H23 3.5139 no 2_665
C23 H37A 3.2515 no 2_665
C24 H15 3.0389 no 1_455
C24 H16 3.5140 no 1_455
C24 H47A 3.2410 no 2_665
C25 H16 3.2121 no 1_455
C25 H47B 3.2753 no 1_455
C26 H13 3.4970 no 2_665
C33 H1A 2.8033 no .
C33 H14 3.1717 no 1_556
C33 H37C 3.2653 no 2_666
C33 H44 3.0636 no 1_455
C34 H1A 2.7954 no .
C34 H14 2.9548 no 1_556
C34 H34 3.3700 no 2_666
C34 H37C 2.8356 no 2_666
C34 H44 3.5336 no 1_455
C34 H47B 3.2754 no 2_766
C35 H1A 3.0018 no .
C35 H34 3.3251 no 2_666
C35 H47B 3.5819 no 2_766
C35 H47C 3.5783 no 2_766
C36 H1A 3.5430 no .
C36 H13 3.4550 no 1_556
C36 H14 3.1419 no 1_556
C36 H37C 3.4043 no 2_666
C36 H44 3.1343 no 1_455
C36 H46A 3.3021 no 1_455
C37 H13 3.3934 no 2_665
C37 H23 3.2844 no 2_665
C37 H34 3.1717 no 2_666
C37 H44 3.3209 no 2_766
C37 H47B 3.5292 no 2_766
C37 H47C 3.2629 no 2_766
C43 H1B 2.5242 no .
C43 H46A 3.1031 no 2_755
C43 H46B 3.3112 no 2_755
C44 H1B 2.7010 no .
C44 H25 3.4860 no 1_655
C44 H26 3.3856 no 1_655
C44 H36C 3.3015 no 1_655
C44 H37B 3.2573 no 2_766
C44 H37C 3.4266 no 2_766
C44 H46B 3.4106 no 2_755
C45 H1B 2.8798 no .
C45 H25 3.1013 no 1_655
C45 H37B 3.2291 no 2_766
C46 H1B 3.2631 no .
C46 H15 3.5643 no 2_755
C46 H16 3.1348 no 2_755
C46 H36B 3.3025 no 1_655
C46 H36C 3.5237 no 1_655
C46 H46A 3.3634 no 2_755
C46 H46B 3.5563 no 2_755
C47 H1A 3.5748 no 2_766
C47 H24 3.3858 no 2_665
C47 H25 2.9309 no 1_655
C47 H37B 2.9538 no 2_766
H1A N31 3.1161 no .
H1A N32 3.0075 no .
H1A C14 3.5180 no 1_556
H1A C33 2.8033 no .
H1A C34 2.7954 no .
H1A C35 3.0018 no .
H1A C36 3.5430 no .
H1A C47 3.5748 no 2_766
H1A H14 2.6353 no 1_556
H1A H34 3.1933 no .
H1A H36A 3.2225 no .
H1A H47B 3.3165 no 2_766
H1A H47C 3.0864 no 2_766
H1B N31 3.4517 no .
H1B N32 3.5127 no .
H1B N41 2.8397 no .
H1B N42 2.6317 no .
H1B C43 2.5242 no .
H1B C44 2.7010 no .
H1B C45 2.8798 no .
H1B C46 3.2631 no .
H1B H37B 3.4460 no 2_766
H1B H44 3.2177 no .
H1B H46C 2.9374 no .
H13 Cl1 3.4004 no 2_655
H13 C26 3.4970 no 2_665
H13 C36 3.4550 no 1_554
H13 C37 3.3934 no 2_665
H13 H26 3.4806 no 2_665
H13 H34 2.9621 no 1_554
H13 H36A 3.0438 no 1_554
H13 H36C 3.1148 no 1_554
H13 H37A 2.9624 no 2_665
H13 H37C 2.9448 no 2_665
H14 C1 3.3122 no 1_554
H14 C33 3.1717 no 1_554
H14 C34 2.9548 no 1_554
H14 C36 3.1419 no 1_554
H14 H1A 2.6353 no 1_554
H14 H34 2.5971 no 1_554
H14 H36A 2.4483 no 1_554
H14 H36C 3.4875 no 1_554
H14 H47B 2.8993 no 2_765
H15 Cl2 3.0724 no 1_554
H15 C24 3.0389 no 1_655
H15 C46 3.5643 no 2_755
H15 H24 2.4895 no 1_655
H15 H46A 3.3308 no 2_755
H15 H46C 2.9994 no 2_755
H15 H47A 3.5070 no 2_765
H16 C24 3.5140 no 1_655
H16 C25 3.2121 no 1_655
H16 C46 3.1348 no 2_755
H16 H24 3.2841 no 1_655
H16 H25 2.7041 no 1_655
H16 H46A 2.5184 no 2_755
H16 H46B 3.1604 no 2_755
H16 H46C 3.2502 no 2_755
H23 Cl2 3.0802 no 1_454
H23 N21 3.5139 no 2_665
H23 C21 3.5139 no 2_665
H23 C37 3.2844 no 2_665
H23 H37A 2.3852 no 2_665
H23 H37C 3.4296 no 2_665
H23 H47A 3.3073 no 2_665
H24 N11 3.4013 no 2_665
H24 C11 3.4013 no 2_665
H24 C15 2.9895 no 1_455
H24 C16 3.4243 no 1_455
H24 C16 3.5768 no 2_665
H24 C47 3.3858 no 2_665
H24 H15 2.4895 no 1_455
H24 H16 3.2841 no 1_455
H24 H25 3.5578 no 2_565
H24 H47A 2.4432 no 2_665
H25 C13 3.5671 no 2_665
H25 C14 3.4608 no 2_665
H25 C16 3.3365 no 1_455
H25 C44 3.4860 no 1_455
H25 C45 3.1013 no 1_455
H25 C47 2.9309 no 1_455
H25 H16 2.7041 no 1_455
H25 H24 3.5578 no 2_565
H25 H47A 2.8580 no 1_455
H25 H47B 2.4908 no 1_455
H26 C44 3.3856 no 1_455
H26 H13 3.4806 no 2_665
H26 H34 3.3834 no 2_666
H26 H44 2.9034 no 1_455
H26 H47B 3.1777 no 1_455
H34 C13 3.4412 no 1_556
H34 C14 3.2569 no 1_556
H34 C34 3.3700 no 2_666
H34 C35 3.3251 no 2_666
H34 C37 3.1717 no 2_666
H34 H1A 3.1933 no .
H34 H13 2.9621 no 1_556
H34 H14 2.5971 no 1_556
H34 H26 3.3834 no 2_666
H34 H34 3.2274 no 2_666
H34 H37A 3.5852 no 2_666
H34 H37C 2.3791 no 2_666
H34 H47B 2.7925 no 2_766
H36A Cl1 3.2119 no .
H36A C13 3.2956 no 1_556
H36A C14 2.9907 no 1_556
H36A H1A 3.2225 no .
H36A H13 3.0438 no 1_556
H36A H14 2.4483 no 1_556
H36A H36A 3.4374 no 2_656
H36B C46 3.3025 no 1_455
H36B H44 3.2963 no 1_455
H36B H46A 2.6236 no 1_455
H36B H46C 3.1789 no 1_455
H36C C44 3.3015 no 1_455
H36C C46 3.5237 no 1_455
H36C H13 3.1148 no 1_556
H36C H14 3.4875 no 1_556
H36C H37C 2.7432 no 2_666
H36C H44 2.6143 no 1_455
H36C H46A 3.2000 no 1_455
H36C H46C 3.2230 no 1_455
H37A Cl2 3.2450 no 2_766
H37A C23 3.2515 no 2_665
H37A H13 2.9624 no 2_665
H37A H23 2.3852 no 2_665
H37A H34 3.5852 no 2_666
H37B Cl2 3.3395 no 2_766
H37B C44 3.2573 no 2_766
H37B C45 3.2291 no 2_766
H37B C47 2.9538 no 2_766
H37B H1B 3.4460 no 2_766
H37B H44 2.9970 no 2_766
H37B H47B 2.9488 no 2_766
H37B H47C 2.3917 no 2_766
H37C C33 3.2653 no 2_666
H37C C34 2.8356 no 2_666
H37C C36 3.4043 no 2_666
H37C C44 3.4266 no 2_766
H37C H13 2.9448 no 2_665
H37C H23 3.4296 no 2_665
H37C H34 2.3791 no 2_666
H37C H36C 2.7432 no 2_666
H37C H44 2.7585 no 2_766
H44 N32 3.4691 no 1_655
H44 C33 3.0636 no 1_655
H44 C34 3.5336 no 1_655
H44 C36 3.1343 no 1_655
H44 C37 3.3209 no 2_766
H44 H1B 3.2177 no .
H44 H26 2.9034 no 1_655
H44 H36B 3.2963 no 1_655
H44 H36C 2.6143 no 1_655
H44 H37B 2.9970 no 2_766
H44 H37C 2.7585 no 2_766
H44 H46B 3.5462 no 2_755
H46A Ag1 3.1664 no 1_655
H46A N42 3.1401 no 2_755
H46A C15 3.5890 no 2_755
H46A C16 3.1749 no 2_755
H46A C36 3.3021 no 1_655
H46A C43 3.1031 no 2_755
H46A C46 3.3634 no 2_755
H46A H15 3.3308 no 2_755
H46A H16 2.5184 no 2_755
H46A H36B 2.6236 no 1_655
H46A H36C 3.2000 no 1_655
H46A H46A 3.3018 no 2_755
H46A H46B 3.1106 no 2_755
H46B C43 3.3112 no 2_755
H46B C44 3.4106 no 2_755
H46B C46 3.5563 no 2_755
H46B H16 3.1604 no 2_755
H46B H44 3.5462 no 2_755
H46B H46A 3.1106 no 2_755
H46C Cl1 3.4145 no .
H46C C1 3.4623 no .
H46C H1B 2.9374 no .
H46C H15 2.9994 no 2_755
H46C H16 3.2502 no 2_755
H46C H36B 3.1789 no 1_655
H46C H36C 3.2230 no 1_655
H47A Cl2 3.5471 no 2_766
H47A C24 3.2410 no 2_665
H47A H15 3.5070 no 2_765
H47A H23 3.3073 no 2_665
H47A H24 2.4432 no 2_665
H47A H25 2.8580 no 1_655
H47B C14 3.2766 no 2_765
H47B C25 3.2753 no 1_655
H47B C34 3.2754 no 2_766
H47B C35 3.5819 no 2_766
H47B C37 3.5292 no 2_766
H47B H1A 3.3165 no 2_766
H47B H14 2.8993 no 2_765
H47B H25 2.4908 no 1_655
H47B H26 3.1777 no 1_655
H47B H34 2.7925 no 2_766
H47B H37B 2.9488 no 2_766
H47C Cl2 3.4814 no 2_766
H47C C35 3.5783 no 2_766
H47C C37 3.2629 no 2_766
H47C H1A 3.0864 no 2_766
H47C H37B 2.3917 no 2_766
H47C H47C 3.1080 no 2_766
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N11 Pt1 N21 C22 0.14(15) no . .
N11 Pt1 N21 C26 -178.0(2) no . .
N21 Pt1 N11 C12 -0.70(15) no . .
N21 Pt1 N11 C16 178.9(2) no . .
N11 Pt1 N41 N42 -88.26(19) no . .
N11 Pt1 N41 C45 92.8(3) no . .
N41 Pt1 N11 C12 177.97(15) no . .
N41 Pt1 N11 C16 -2.38(19) no . .
N11 Pt1 C21 C22 0.14(15) no . .
N11 Pt1 C21 C26 -178.0(2) no . .
C21 Pt1 N11 C12 -0.70(15) no . .
C21 Pt1 N11 C16 178.9(2) no . .
N21 Pt1 N31 N32 85.85(18) no . .
N21 Pt1 N31 C35 -88.6(3) no . .
N31 Pt1 N21 C22 -178.76(15) no . .
N31 Pt1 N21 C26 3.10(19) no . .
N21 Pt1 C11 C12 -0.70(15) no . .
N21 Pt1 C11 C16 178.9(2) no . .
C11 Pt1 N21 C22 0.14(15) no . .
C11 Pt1 N21 C26 -178.0(2) no . .
N31 Pt1 N41 N42 90.54(18) no . .
N31 Pt1 N41 C45 -88.4(3) no . .
N41 Pt1 N31 N32 -92.74(18) no . .
N41 Pt1 N31 C35 92.8(3) no . .
N31 Pt1 C21 C22 -178.76(15) no . .
N31 Pt1 C21 C26 3.10(19) no . .
C21 Pt1 N31 N32 85.85(18) no . .
C21 Pt1 N31 C35 -88.6(3) no . .
N41 Pt1 C11 C12 177.97(15) no . .
N41 Pt1 C11 C16 -2.38(19) no . .
C11 Pt1 N41 N42 -88.26(19) no . .
C11 Pt1 N41 C45 92.8(3) no . .
C11 Pt1 C21 C22 0.14(15) no . .
C11 Pt1 C21 C26 -178.0(2) no . .
C21 Pt1 C11 C12 -0.70(15) no . .
C21 Pt1 C11 C16 178.9(2) no . .
Pt1 N11 C12 C13 -179.59(16) no . .
Pt1 N11 C12 C22 1.1(3) no . .
Pt1 N11 C16 C15 179.25(15) no . .
C12 N11 C16 C15 -1.1(4) no . .
C16 N11 C12 C13 0.7(4) no . .
C16 N11 C12 C22 -178.6(2) no . .
Pt1 N21 C22 C12 0.4(3) no . .
Pt1 N21 C22 C23 -179.03(16) no . .
Pt1 N21 C26 C25 178.74(16) no . .
C22 N21 C26 C25 0.7(4) no . .
C26 N21 C22 C12 178.7(2) no . .
C26 N21 C22 C23 -0.7(4) no . .
Pt1 N31 N32 Ag1 -12.1(3) no . .
Pt1 N31 N32 C33 -175.97(15) no . .
Pt1 N31 C35 C34 175.54(18) no . .
Pt1 N31 C35 C37 -3.3(5) no . .
N32 N31 C35 C34 0.7(4) no . .
N32 N31 C35 C37 -178.1(3) no . .
C35 N31 N32 Ag1 163.6(2) no . .
C35 N31 N32 C33 -0.2(3) no . .
Ag1 N32 C33 C34 -160.1(2) no . .
Ag1 N32 C33 C36 20.6(5) no . .
N31 N32 C33 C34 -0.3(4) no . .
N31 N32 C33 C36 -179.7(3) no . .
Pt1 N41 N42 Ag1 24.6(3) no . 2_655
Pt1 N41 N42 C43 -178.90(15) no . .
Pt1 N41 C45 C44 179.00(19) no . .
Pt1 N41 C45 C47 -1.3(5) no . .
N42 N41 C45 C44 -0.0(4) no . .
N42 N41 C45 C47 179.7(3) no . .
C45 N41 N42 Ag1 -156.2(3) no . 2_655
C45 N41 N42 C43 0.3(4) no . .
Ag1 N42 C43 C44 153.4(2) no 2_655 .
Ag1 N42 C43 C46 -27.3(5) no 2_655 .
N41 N42 C43 C44 -0.5(4) no . .
N41 N42 C43 C46 178.9(3) no . .
Pt1 C11 C12 C13 -179.59(16) no . .
Pt1 C11 C12 C22 1.1(3) no . .
Pt1 C11 C16 C15 179.25(15) no . .
C12 C11 C16 C15 -1.1(4) no . .
C16 C11 C12 C13 0.7(4) no . .
C16 C11 C12 C22 -178.6(2) no . .
N11 C12 C13 C14 0.3(4) no . .
N11 C12 C22 N21 -1.0(4) no . .
N11 C12 C22 C21 -1.0(4) no . .
N11 C12 C22 C23 178.4(2) no . .
C11 C12 C13 C14 0.3(4) no . .
C11 C12 C22 N21 -1.0(4) no . .
C11 C12 C22 C21 -1.0(4) no . .
C11 C12 C22 C23 178.4(2) no . .
C13 C12 C22 N21 179.7(3) no . .
C13 C12 C22 C21 179.7(3) no . .
C13 C12 C22 C23 -0.8(4) no . .
C22 C12 C13 C14 179.5(3) no . .
C12 C13 C14 C15 -1.0(4) no . .
C13 C14 C15 C16 0.6(4) no . .
C14 C15 C16 N11 0.4(4) no . .
C14 C15 C16 C11 0.4(4) no . .
Pt1 C21 C22 C12 0.4(3) no . .
Pt1 C21 C22 C23 -179.03(16) no . .
Pt1 C21 C26 C25 178.74(16) no . .
C22 C21 C26 C25 0.7(4) no . .
C26 C21 C22 C12 178.7(2) no . .
C26 C21 C22 C23 -0.7(4) no . .
N21 C22 C23 C24 0.6(4) no . .
C12 C22 C23 C24 -178.7(3) no . .
C21 C22 C23 C24 0.6(4) no . .
C22 C23 C24 C25 -0.4(4) no . .
C23 C24 C25 C26 0.4(4) no . .
C24 C25 C26 N21 -0.5(4) no . .
C24 C25 C26 C21 -0.5(4) no . .
N32 C33 C34 C35 0.8(4) no . .
C36 C33 C34 C35 -180.0(3) no . .
C33 C34 C35 N31 -0.9(4) no . .
C33 C34 C35 C37 177.8(3) no . .
N42 C43 C44 C45 0.4(4) no . .
C46 C43 C44 C45 -178.8(4) no . .
C43 C44 C45 N41 -0.3(4) no . .
C43 C44 C45 C47 -180.0(4) no . .
