#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/93/7009379.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_7009379
loop_
_publ_author_name
'Schneider, Alexandra'
'Freisinger, Eva'
'Beck, Bettina'
'Lippert, Bernhard'
_publ_section_title
;
 Ready formation of water-stable PtII-(μ-NH2)-PdII species through
 combination of trans-[(NH3)2PtIIL2] (L = N,N'-heterocycle) and [enPd(H2O)2]2+
;
_journal_issue                   6
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              837
_journal_paper_doi               10.1039/b000456l
_journal_year                    2000
_chemical_formula_structural
; 
 'trans-[(NH3)2Pt{(2-ampy-N2)Pd(en)}2PdCl](NO3)3 * 1.3H2O' 
;
_chemical_formula_sum            'C14 H32.6 Cl N13 O10.3 Pd3 Pt'
_chemical_formula_weight         1097.67
_chemical_name_systematic        ?
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                101.93(3)
_cell_angle_beta                 102.74(3)
_cell_angle_gamma                112.30(3)
_cell_formula_units_Z            2
_cell_length_a                   11.046(2)
_cell_length_b                   12.056(2)
_cell_length_c                   12.971(3)
_cell_measurement_reflns_used    4835
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.98
_cell_measurement_theta_min      4.54
_cell_volume                     1475.9(8)
_computing_cell_refinement       'DENZO, SCALEPACK (Otwinowski, Minor, 1997)'
_computing_data_collection       'KappaCCD (Nonius BV, Netherlands)'
_computing_data_reduction        'DENZO, SCALEPACK (Otwinowski, Minor, 1997)'
_computing_molecular_graphics    'Siemens SHELXTL-PLUS(VMS)'
_computing_publication_material  SHELXL-93
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean '19 vertical, 18 horizontal'
_diffrn_measurement_device       Enraf-Nonius-KappaCCD
_diffrn_measurement_method
;
360 frames via ω-rotation (Δω\=1°) and two times 20s per frame
;
_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  0.066
_diffrn_reflns_av_sigmaI/netI    0.1165
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4835
_diffrn_reflns_theta_max         24.98
_diffrn_reflns_theta_min         4.54
_exptl_absorpt_coefficient_mu    6.685
_exptl_absorpt_correction_T_max  0.4770
_exptl_absorpt_correction_T_min  0.0670
_exptl_absorpt_correction_type   SCALEPACK
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.470
_exptl_crystal_description       stick
_exptl_crystal_F_000             1046
_exptl_crystal_size_max          0.88
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.985
_refine_diff_density_min         -0.790
_refine_diff_density_rms         0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.847
_refine_ls_goodness_of_fit_obs   1.021
_refine_ls_hydrogen_treatment
;
 refU, except H11a to H11d, H2 and H2' noref
;
_refine_ls_matrix_type           full
_refine_ls_number_parameters     386
_refine_ls_number_reflns         4833
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.860
_refine_ls_restrained_S_obs      1.021
_refine_ls_R_factor_all          0.0858
_refine_ls_R_factor_obs          0.0369
_refine_ls_shift/esd_max         -0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0208P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0667
_refine_ls_wR_factor_obs         0.0597
_reflns_number_observed          2893
_reflns_number_total             4835
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b000456l.txt
_cod_data_source_block           4b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0208P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0208P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1475.9(5)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C14 H32.60 Cl N13 O10.30 Pd3 Pt'
_cod_database_code               7009379
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Pt1 Pt 0.65839(4) 0.21581(4) 0.35802(3) 0.03261(13) Uani 1 d . .
Pd1 Pd 0.48775(7) 0.25699(6) 0.23272(5) 0.0340(2) Uani 1 d . .
Pd3 Pd 0.31336(7) 0.05978(6) 0.30237(5) 0.0347(2) Uani 1 d . .
Pd2 Pd 0.76449(8) 0.45479(6) 0.24504(5) 0.0380(2) Uani 1 d . .
Cl1 Cl 0.3180(3) 0.2877(3) 0.1158(2) 0.0728(9) Uani 1 d . .
N11 N 0.5019(7) 0.1028(6) 0.4056(5) 0.040(2) Uani 1 d . .
H11A H 0.5091(7) 0.0309(6) 0.4055(5) 0.048 Uiso 1 calc R .
H11B H 0.5114(7) 0.1433(6) 0.4757(5) 0.048 Uiso 1 calc R .
N11' N 0.8088(7) 0.3272(6) 0.3057(5) 0.044(2) Uani 1 d . .
H11C H 0.8888(7) 0.3692(6) 0.3635(5) 0.053 Uiso 1 calc R .
H11D H 0.8221(7) 0.2768(6) 0.2522(5) 0.053 Uiso 1 calc R .
N21 N 0.2235(7) 0.0545(6) 0.4248(5) 0.039(2) Uani 1 d . .
H21A H 0.2010(7) -0.0204(6) 0.4373(5) 0.049(10) Uiso 1 calc R .
H21B H 0.2828(7) 0.1166(6) 0.4888(5) 0.049(10) Uiso 1 calc R .
C21 C 0.0972(10) 0.0718(9) 0.3860(8) 0.049(3) Uani 1 d . .
H21C H 0.1221(10) 0.1605(9) 0.3957(8) 0.056(10) Uiso 1 calc R .
H21D H 0.0365(10) 0.0438(9) 0.4287(8) 0.056(10) Uiso 1 calc R .
C22 C 0.0247(10) -0.0059(9) 0.2638(7) 0.053(3) Uani 1 d . .
H22A H -0.0104(10) -0.0954(9) 0.2554(7) 0.056(10) Uiso 1 calc R .
H22B H -0.0529(10) 0.0104(9) 0.2334(7) 0.056(10) Uiso 1 calc R .
N22 N 0.1253(7) 0.0291(7) 0.2029(5) 0.050(2) Uani 1 d . .
H22C H 0.1316(7) 0.0996(7) 0.1864(5) 0.049(10) Uiso 1 calc R .
H22D H 0.0969(7) -0.0337(7) 0.1387(5) 0.049(10) Uiso 1 calc R .
N31 N 0.8983(8) 0.4726(7) 0.1562(6) 0.047(2) Uani 1 d . .
H31A H 0.9857(8) 0.5262(7) 0.2009(6) 0.049(10) Uiso 1 calc R .
H31B H 0.8953(8) 0.3969(7) 0.1260(6) 0.049(10) Uiso 1 calc R .
C31 C 0.8547(11) 0.5216(9) 0.0690(8) 0.059(3) Uani 1 d . .
H31C H 0.7699(11) 0.4563(9) 0.0117(8) 0.056(10) Uiso 1 calc R .
H31D H 0.9258(11) 0.5493(9) 0.0347(8) 0.056(10) Uiso 1 calc R .
C32 C 0.8315(12) 0.6301(10) 0.1219(9) 0.072(3) Uani 1 d . .
H32A H 0.7965(12) 0.6624(10) 0.0656(9) 0.056(10) Uiso 1 calc R .
H32B H 0.9179(12) 0.6979(10) 0.1753(9) 0.056(10) Uiso 1 calc R .
N32 N 0.7280(9) 0.5842(7) 0.1799(6) 0.063(3) Uani 1 d . .
H32C H 0.6412(9) 0.5481(7) 0.1312(6) 0.049(10) Uiso 1 calc R .
H32D H 0.7374(9) 0.6495(7) 0.2347(6) 0.049(10) Uiso 1 calc R .
N10 N 0.9526(11) 0.2468(9) 0.5379(7) 0.052(2) Uani 1 d . .
O11 O 0.8273(7) 0.1669(6) 0.4833(5) 0.046(2) Uani 1 d . .
O12 O 0.9982(8) 0.3525(8) 0.5269(6) 0.081(2) Uani 1 d . .
O13 O 1.0256(8) 0.2174(7) 0.6023(6) 0.077(2) Uani 1 d . .
N1 N 0.6961(7) 0.3752(6) 0.4717(5) 0.033(2) Uani 1 d . .
C2 C 0.6628(9) 0.4616(8) 0.4387(7) 0.038(2) Uani 1 d . .
N2 N 0.6184(7) 0.4443(6) 0.3253(5) 0.036(2) Uani 1 d . .
H2 H 0.5714 0.5042 0.3060 0.043 Uiso 1 d . .
C3 C 0.6751(10) 0.5684(9) 0.5154(7) 0.044(3) Uani 1 d . .
H3 H 0.6533(10) 0.6277(9) 0.4907(7) 0.033(8) Uiso 1 calc R .
C4 C 0.7193(11) 0.5852(9) 0.6264(8) 0.054(3) Uani 1 d . .
H4 H 0.7262(11) 0.6554(9) 0.6780(8) 0.033(8) Uiso 1 calc R .
C5 C 0.7542(10) 0.4968(9) 0.6626(7) 0.056(3) Uani 1 d . .
H5 H 0.7858(10) 0.5073(9) 0.7383(7) 0.033(8) Uiso 1 calc R .
C6 C 0.7405(9) 0.3945(9) 0.5838(7) 0.046(3) Uani 1 d . .
H6 H 0.7625(9) 0.3347(9) 0.6076(7) 0.033(8) Uiso 1 calc R .
N1' N 0.5985(7) 0.0561(6) 0.2313(5) 0.032(2) Uani 1 d . .
C2' C 0.4708(9) 0.0055(8) 0.1549(7) 0.032(2) Uani 1 d . .
N2' N 0.3875(7) 0.0642(6) 0.1669(5) 0.036(2) Uani 1 d . .
H2' H 0.3116 0.0338 0.1215 0.043 Uiso 1 d . .
C3' C 0.4289(10) -0.1031(8) 0.0647(7) 0.039(2) Uani 1 d . .
H3' H 0.3414(10) -0.1388(8) 0.0113(7) 0.033(8) Uiso 1 calc R .
C4' C 0.5177(10) -0.1567(8) 0.0551(7) 0.044(3) Uani 1 d . .
H4' H 0.4894(10) -0.2293(8) -0.0043(7) 0.033(8) Uiso 1 calc R .
C5' C 0.6465(10) -0.1040(8) 0.1321(7) 0.045(3) Uani 1 d . .
H5' H 0.7081(10) -0.1383(8) 0.1254(7) 0.033(8) Uiso 1 calc R .
C6' C 0.6832(10) 0.0015(8) 0.2204(7) 0.042(2) Uani 1 d . .
H6' H 0.7699(10) 0.0366(8) 0.2747(7) 0.033(8) Uiso 1 calc R .
N20 N 0.9323(9) 0.1827(9) 0.0734(7) 0.053(2) Uani 1 d . .
O21 O 0.9703(8) 0.2288(7) 0.1755(6) 0.083(3) Uani 1 d . .
O22 O 0.9046(8) 0.0703(7) 0.0314(6) 0.078(3) Uani 1 d . .
O23 O 0.9142(9) 0.2436(7) 0.0105(7) 0.093(3) Uani 1 d . .
N30 N 0.5228(11) 0.7391(8) 0.3013(7) 0.058(3) Uani 1 d . .
O31 O 0.4946(8) 0.8204(7) 0.3495(6) 0.079(3) Uani 1 d . .
O32 O 0.6248(10) 0.7302(8) 0.3464(6) 0.092(3) Uani 1 d . .
O33 O 0.4465(9) 0.6653(8) 0.2079(7) 0.112(3) Uani 1 d . .
O1W O 0.1825(8) 0.7188(7) 0.2051(6) 0.090(3) Uani 1 d . .
O2W O 0.4667(29) 0.5184(25) 0.0555(21) 0.100(9) Uiso 0.30 d P .
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
_geom_angle_publ_flag
N1 Pt1 N1' 172.5(3) . . ?
N1 Pt1 N11' 86.8(3) . . ?
N1' Pt1 N11' 94.5(3) . . ?
N1 Pt1 N11 93.8(3) . . ?
N1' Pt1 N11 84.6(2) . . ?
N11' Pt1 N11 178.0(3) . . ?
N1 Pt1 Pd1 86.2(2) . . ?
N1' Pt1 Pd1 86.5(2) . . ?
N11' Pt1 Pd1 88.7(2) . . ?
N11 Pt1 Pd1 89.5(2) . . ?
N1 Pt1 O11 95.1(2) . . ?
N1' Pt1 O11 92.2(2) . . ?
N11' Pt1 O11 92.5(2) . . ?
N11 Pt1 O11 89.3(2) . . ?
Pd1 Pt1 O11 178.28(15) . . ?
N2' Pd1 N2 167.1(3) . . ?
N2' Pd1 Cl1 94.5(2) . . ?
N2 Pd1 Cl1 98.2(2) . . ?
N2' Pd1 Pt1 83.4(2) . . ?
N2 Pd1 Pt1 83.8(2) . . ?
Cl1 Pd1 Pt1 177.16(9) . . ?
N2' Pd1 Pd3 46.5(2) . . ?
N2 Pd1 Pd3 128.5(2) . . ?
Cl1 Pd1 Pd3 99.76(9) . . ?
Pt1 Pd1 Pd3 77.40(4) . . ?
N2' Pd1 Pd2 133.5(2) . . ?
N2 Pd1 Pd2 43.4(2) . . ?
Cl1 Pd1 Pd2 106.44(9) . . ?
Pt1 Pd1 Pd2 76.40(4) . . ?
Pd3 Pd1 Pd2 153.40(3) . . ?
N11 Pd3 N22 176.0(3) . . ?
N11 Pd3 N21 94.4(3) . . ?
N22 Pd3 N21 84.5(3) . . ?
N11 Pd3 N2' 91.1(3) . . ?
N22 Pd3 N2' 89.9(3) . . ?
N21 Pd3 N2' 174.4(3) . . ?
N11 Pd3 Pd1 79.5(2) . . ?
N22 Pd3 Pd1 98.5(2) . . ?
N21 Pd3 Pd1 135.4(2) . . ?
N2' Pd3 Pd1 44.9(2) . . ?
N11' Pd2 N31 93.1(3) . . ?
N11' Pd2 N32 176.9(3) . . ?
N31 Pd2 N32 83.8(3) . . ?
N11' Pd2 N2 92.4(3) . . ?
N31 Pd2 N2 174.2(3) . . ?
N32 Pd2 N2 90.7(3) . . ?
N11' Pd2 Pd1 75.0(2) . . ?
N31 Pd2 Pd1 137.4(2) . . ?
N32 Pd2 Pd1 107.5(3) . . ?
N2 Pd2 Pd1 43.0(2) . . ?
Pd3 N11 Pt1 111.5(3) . . ?
Pd3 N11 H11A 109.3(2) . . ?
Pt1 N11 H11A 109.3(2) . . ?
Pd3 N11 H11B 109.3(2) . . ?
Pt1 N11 H11B 109.3(2) . . ?
H11A N11 H11B 108.0 . . ?
Pd2 N11' Pt1 114.3(3) . . ?
Pd2 N11' H11C 108.7(2) . . ?
Pt1 N11' H11C 108.7(2) . . ?
Pd2 N11' H11D 108.7(2) . . ?
Pt1 N11' H11D 108.7(2) . . ?
H11C N11' H11D 107.6 . . ?
C21 N21 Pd3 107.6(5) . . ?
C21 N21 H21A 110.2(5) . . ?
Pd3 N21 H21A 110.2(2) . . ?
C21 N21 H21B 110.2(4) . . ?
Pd3 N21 H21B 110.2(2) . . ?
H21A N21 H21B 108.5 . . ?
N21 C21 C22 107.7(7) . . ?
N21 C21 H21C 110.2(4) . . ?
C22 C21 H21C 110.2(5) . . ?
N21 C21 H21D 110.2(4) . . ?
C22 C21 H21D 110.2(5) . . ?
H21C C21 H21D 108.5 . . ?
N22 C22 C21 108.8(7) . . ?
N22 C22 H22A 109.9(5) . . ?
C21 C22 H22A 109.9(5) . . ?
N22 C22 H22B 109.9(5) . . ?
C21 C22 H22B 109.9(5) . . ?
H22A C22 H22B 108.3 . . ?
C22 N22 Pd3 108.3(5) . . ?
C22 N22 H22C 110.0(5) . . ?
Pd3 N22 H22C 110.0(2) . . ?
C22 N22 H22D 110.0(4) . . ?
Pd3 N22 H22D 110.0(2) . . ?
H22C N22 H22D 108.4 . . ?
C31 N31 Pd2 106.9(6) . . ?
C31 N31 H31A 110.3(5) . . ?
Pd2 N31 H31A 110.3(2) . . ?
C31 N31 H31B 110.3(5) . . ?
Pd2 N31 H31B 110.3(2) . . ?
H31A N31 H31B 108.6 . . ?
N31 C31 C32 107.5(8) . . ?
N31 C31 H31C 110.2(5) . . ?
C32 C31 H31C 110.2(6) . . ?
N31 C31 H31D 110.2(5) . . ?
C32 C31 H31D 110.2(6) . . ?
H31C C31 H31D 108.5 . . ?
C31 C32 N32 108.0(8) . . ?
C31 C32 H32A 110.1(6) . . ?
N32 C32 H32A 110.1(5) . . ?
C31 C32 H32B 110.1(6) . . ?
N32 C32 H32B 110.1(6) . . ?
H32A C32 H32B 108.4 . . ?
C32 N32 Pd2 107.7(6) . . ?
C32 N32 H32C 110.2(6) . . ?
Pd2 N32 H32C 110.2(2) . . ?
C32 N32 H32D 110.2(5) . . ?
Pd2 N32 H32D 110.2(2) . . ?
H32C N32 H32D 108.5 . . ?
O13 N10 O12 121.1(10) . . ?
O13 N10 O11 119.1(9) . . ?
O12 N10 O11 119.8(9) . . ?
N10 O11 Pt1 123.4(6) . . ?
C2 N1 C6 117.6(7) . . ?
C2 N1 Pt1 119.7(5) . . ?
C6 N1 Pt1 122.3(6) . . ?
N1 C2 N2 118.5(7) . . ?
N1 C2 C3 121.7(8) . . ?
N2 C2 C3 119.8(8) . . ?
C2 N2 Pd1 112.0(5) . . ?
C2 N2 Pd2 116.0(5) . . ?
Pd1 N2 Pd2 93.6(2) . . ?
C2 N2 H2 112.9(6) . . ?
Pd1 N2 H2 110.7(5) . . ?
Pd2 N2 H2 110.1(5) . . ?
C4 C3 C2 119.6(9) . . ?
C4 C3 H3 120.2(6) . . ?
C2 C3 H3 120.2(6) . . ?
C3 C4 C5 119.7(8) . . ?
C3 C4 H4 120.1(6) . . ?
C5 C4 H4 120.1(5) . . ?
C6 C5 C4 118.0(9) . . ?
C6 C5 H5 121.0(6) . . ?
C4 C5 H5 121.0(5) . . ?
C5 C6 N1 123.4(9) . . ?
C5 C6 H6 118.3(6) . . ?
N1 C6 H6 118.3(5) . . ?
C6' N1' C2' 119.9(7) . . ?
C6' N1' Pt1 121.9(6) . . ?
C2' N1' Pt1 118.3(5) . . ?
N1' C2' N2' 118.7(7) . . ?
N1' C2' C3' 119.1(8) . . ?
N2' C2' C3' 122.2(8) . . ?
C2' N2' Pd1 115.6(6) . . ?
C2' N2' Pd3 117.3(5) . . ?
Pd1 N2' Pd3 88.6(2) . . ?
C2' N2' H2' 118.4(7) . . ?
Pd1 N2' H2' 116.9(6) . . ?
Pd3 N2' H2' 93.9(5) . . ?
C4' C3' C2' 119.9(9) . . ?
C4' C3' H3' 120.1(5) . . ?
C2' C3' H3' 120.1(5) . . ?
C5' C4' C3' 120.4(8) . . ?
C5' C4' H4' 119.8(5) . . ?
C3' C4' H4' 119.8(6) . . ?
C4' C5' C6' 118.0(9) . . ?
C4' C5' H5' 121.0(5) . . ?
C6' C5' H5' 121.0(6) . . ?
N1' C6' C5' 122.7(9) . . ?
N1' C6' H6' 118.6(5) . . ?
C5' C6' H6' 118.6(6) . . ?
O21 N20 O23 121.9(10) . . ?
O21 N20 O22 119.5(9) . . ?
O23 N20 O22 118.5(9) . . ?
O32 N30 O33 119.5(10) . . ?
O32 N30 O31 120.1(9) . . ?
O33 N30 O31 120.4(12) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 N1 1.998(6) . ?
Pt1 N1' 2.023(6) . ?
Pt1 N11' 2.050(7) . ?
Pt1 N11 2.063(7) . ?
Pt1 Pd1 2.4765(11) . ?
Pt1 O11 2.523(6) . ?
Pd1 N2' 2.041(6) . ?
Pd1 N2 2.066(7) . ?
Pd1 Cl1 2.336(3) . ?
Pd1 Pd3 2.8913(14) . ?
Pd1 Pd2 3.025(2) . ?
Pd3 N11 2.016(7) . ?
Pd3 N22 2.038(7) . ?
Pd3 N21 2.049(6) . ?
Pd3 N2' 2.098(6) . ?
Pd2 N11' 2.032(7) . ?
Pd2 N31 2.043(7) . ?
Pd2 N32 2.046(7) . ?
Pd2 N2 2.084(6) . ?
N11 H11A 0.90 . ?
N11 H11B 0.90 . ?
N11' H11C 0.90 . ?
N11' H11D 0.90 . ?
N21 C21 1.483(10) . ?
N21 H21A 0.90 . ?
N21 H21B 0.90 . ?
C21 C22 1.512(11) . ?
C21 H21C 0.97 . ?
C21 H21D 0.97 . ?
C22 N22 1.485(10) . ?
C22 H22A 0.97 . ?
C22 H22B 0.97 . ?
N22 H22C 0.90 . ?
N22 H22D 0.90 . ?
N31 C31 1.454(11) . ?
N31 H31A 0.90 . ?
N31 H31B 0.90 . ?
C31 C32 1.487(12) . ?
C31 H31C 0.97 . ?
C31 H31D 0.97 . ?
C32 N32 1.500(11) . ?
C32 H32A 0.97 . ?
C32 H32B 0.97 . ?
N32 H32C 0.90 . ?
N32 H32D 0.90 . ?
N10 O13 1.231(9) . ?
N10 O12 1.232(9) . ?
N10 O11 1.272(9) . ?
N1 C2 1.345(10) . ?
N1 C6 1.367(9) . ?
C2 N2 1.388(10) . ?
C2 C3 1.394(11) . ?
N2 H2 1.075(6) . ?
C3 C4 1.359(11) . ?
C3 H3 0.93 . ?
C4 C5 1.395(12) . ?
C4 H4 0.93 . ?
C5 C6 1.363(11) . ?
C5 H5 0.93 . ?
C6 H6 0.93 . ?
N1' C6' 1.346(10) . ?
N1' C2' 1.351(10) . ?
C2' N2' 1.372(10) . ?
C2' C3' 1.402(10) . ?
N2' H2' 0.803(7) . ?
C3' C4' 1.376(11) . ?
C3' H3' 0.93 . ?
C4' C5' 1.361(11) . ?
C4' H4' 0.93 . ?
C5' C6' 1.377(10) . ?
C5' H5' 0.93 . ?
C6' H6' 0.93 . ?
N20 O21 1.229(9) . ?
N20 O23 1.238(10) . ?
N20 O22 1.239(9) . ?
N30 O32 1.205(10) . ?
N30 O33 1.227(10) . ?
N30 O31 1.230(10) . ?
O2W O2W 1.81(5) 2_665 ?
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 Pt1 Pd1 N2' -149.8(3) . . . . ?
N1' Pt1 Pd1 N2' 28.7(3) . . . . ?
N11' Pt1 Pd1 N2' 123.3(2) . . . . ?
N11 Pt1 Pd1 N2' -55.9(2) . . . . ?
O11 Pt1 Pd1 N2' -7.8(48) . . . . ?
N1 Pt1 Pd1 N2 28.8(3) . . . . ?
N1' Pt1 Pd1 N2 -152.7(3) . . . . ?
N11' Pt1 Pd1 N2 -58.1(2) . . . . ?
N11 Pt1 Pd1 N2 122.7(2) . . . . ?
O11 Pt1 Pd1 N2 170.8(48) . . . . ?
N1 Pt1 Pd1 Cl1 -106.2(14) . . . . ?
N1' Pt1 Pd1 Cl1 72.3(14) . . . . ?
N11' Pt1 Pd1 Cl1 166.9(14) . . . . ?
N11 Pt1 Pd1 Cl1 -12.4(14) . . . . ?
O11 Pt1 Pd1 Cl1 35.7(52) . . . . ?
N1 Pt1 Pd1 Pd3 -103.0(2) . . . . ?
N1' Pt1 Pd1 Pd3 75.5(2) . . . . ?
N11' Pt1 Pd1 Pd3 170.1(2) . . . . ?
N11 Pt1 Pd1 Pd3 -9.1(2) . . . . ?
O11 Pt1 Pd1 Pd3 39.0(48) . . . . ?
N1 Pt1 Pd1 Pd2 72.3(2) . . . . ?
N1' Pt1 Pd1 Pd2 -109.2(2) . . . . ?
N11' Pt1 Pd1 Pd2 -14.5(2) . . . . ?
N11 Pt1 Pd1 Pd2 166.2(2) . . . . ?
O11 Pt1 Pd1 Pd2 -145.7(48) . . . . ?
N2' Pd1 Pd3 N11 102.4(3) . . . . ?
N2 Pd1 Pd3 N11 -61.8(3) . . . . ?
Cl1 Pd1 Pd3 N11 -170.7(2) . . . . ?
Pt1 Pd1 Pd3 N11 9.5(2) . . . . ?
Pd2 Pd1 Pd3 N11 -0.7(2) . . . . ?
N2' Pd1 Pd3 N22 -81.2(3) . . . . ?
N2 Pd1 Pd3 N22 114.6(3) . . . . ?
Cl1 Pd1 Pd3 N22 5.8(2) . . . . ?
Pt1 Pd1 Pd3 N22 -174.1(2) . . . . ?
Pd2 Pd1 Pd3 N22 175.8(2) . . . . ?
N2' Pd1 Pd3 N21 -172.0(4) . . . . ?
N2 Pd1 Pd3 N21 23.8(4) . . . . ?
Cl1 Pd1 Pd3 N21 -85.1(3) . . . . ?
Pt1 Pd1 Pd3 N21 95.1(3) . . . . ?
Pd2 Pd1 Pd3 N21 84.9(3) . . . . ?
N2' Pd1 Pd3 N2' 0.0 . . . . ?
N2 Pd1 Pd3 N2' -164.2(3) . . . . ?
Cl1 Pd1 Pd3 N2' 87.0(3) . . . . ?
Pt1 Pd1 Pd3 N2' -92.9(3) . . . . ?
Pd2 Pd1 Pd3 N2' -103.0(3) . . . . ?
N2' Pd1 Pd2 N11' -51.7(3) . . . . ?
N2 Pd1 Pd2 N11' 110.5(3) . . . . ?
Cl1 Pd1 Pd2 N11' -164.9(2) . . . . ?
Pt1 Pd1 Pd2 N11' 15.2(2) . . . . ?
Pd3 Pd1 Pd2 N11' 25.4(2) . . . . ?
N2' Pd1 Pd2 N31 26.3(4) . . . . ?
N2 Pd1 Pd2 N31 -171.5(4) . . . . ?
Cl1 Pd1 Pd2 N31 -86.9(3) . . . . ?
Pt1 Pd1 Pd2 N31 93.2(3) . . . . ?
Pd3 Pd1 Pd2 N31 103.4(3) . . . . ?
N2' Pd1 Pd2 N32 126.3(3) . . . . ?
N2 Pd1 Pd2 N32 -71.5(3) . . . . ?
Cl1 Pd1 Pd2 N32 13.1(2) . . . . ?
Pt1 Pd1 Pd2 N32 -166.8(2) . . . . ?
Pd3 Pd1 Pd2 N32 -156.6(2) . . . . ?
N2' Pd1 Pd2 N2 -162.2(4) . . . . ?
N2 Pd1 Pd2 N2 0.0 . . . . ?
Cl1 Pd1 Pd2 N2 84.6(3) . . . . ?
Pt1 Pd1 Pd2 N2 -95.3(3) . . . . ?
Pd3 Pd1 Pd2 N2 -85.1(3) . . . . ?
N22 Pd3 N11 Pt1 -72.9(39) . . . . ?
N21 Pd3 N11 Pt1 -147.4(3) . . . . ?
N2' Pd3 N11 Pt1 31.6(3) . . . . ?
Pd1 Pd3 N11 Pt1 -12.0(2) . . . . ?
N1 Pt1 N11 Pd3 100.0(3) . . . . ?
N1' Pt1 N11 Pd3 -72.7(3) . . . . ?
N11' Pt1 N11 Pd3 -8.3(72) . . . . ?
Pd1 Pt1 N11 Pd3 13.8(2) . . . . ?
O11 Pt1 N11 Pd3 -164.9(3) . . . . ?
N31 Pd2 N11' Pt1 -158.2(3) . . . . ?
N32 Pd2 N11' Pt1 -162.3(53) . . . . ?
N2 Pd2 N11' Pt1 20.0(3) . . . . ?
Pd1 Pd2 N11' Pt1 -19.7(2) . . . . ?
N1 Pt1 N11' Pd2 -62.8(3) . . . . ?
N1' Pt1 N11' Pd2 109.8(3) . . . . ?
N11 Pt1 N11' Pd2 45.6(72) . . . . ?
Pd1 Pt1 N11' Pd2 23.5(3) . . . . ?
O11 Pt1 N11' Pd2 -157.8(3) . . . . ?
N11 Pd3 N21 C21 159.1(5) . . . . ?
N22 Pd3 N21 C21 -17.0(5) . . . . ?
N2' Pd3 N21 C21 -10.9(30) . . . . ?
Pd1 Pd3 N21 C21 79.6(6) . . . . ?
Pd3 N21 C21 C22 41.8(8) . . . . ?
N21 C21 C22 N22 -53.4(10) . . . . ?
C21 C22 N22 Pd3 37.8(8) . . . . ?
N11 Pd3 N22 C22 -86.4(40) . . . . ?
N21 Pd3 N22 C22 -11.6(6) . . . . ?
N2' Pd3 N22 C22 169.0(6) . . . . ?
Pd1 Pd3 N22 C22 -146.7(5) . . . . ?
N11' Pd2 N31 C31 158.8(6) . . . . ?
N32 Pd2 N31 C31 -21.5(6) . . . . ?
N2 Pd2 N31 C31 -2.3(29) . . . . ?
Pd1 Pd2 N31 C31 87.7(6) . . . . ?
Pd2 N31 C31 C32 47.4(9) . . . . ?
N31 C31 C32 N32 -56.2(11) . . . . ?
C31 C32 N32 Pd2 36.2(10) . . . . ?
N11' Pd2 N32 C32 -4.1(58) . . . . ?
N31 Pd2 N32 C32 -8.2(6) . . . . ?
N2 Pd2 N32 C32 173.7(6) . . . . ?
Pd1 Pd2 N32 C32 -146.1(6) . . . . ?
O13 N10 O11 Pt1 175.6(6) . . . . ?
O12 N10 O11 Pt1 -3.2(11) . . . . ?
N1 Pt1 O11 N10 -50.5(7) . . . . ?
N1' Pt1 O11 N10 131.2(6) . . . . ?
N11' Pt1 O11 N10 36.5(6) . . . . ?
N11 Pt1 O11 N10 -144.3(6) . . . . ?
Pd1 Pt1 O11 N10 167.6(44) . . . . ?
N1' Pt1 N1 C2 -32.6(25) . . . . ?
N11' Pt1 N1 C2 67.9(7) . . . . ?
N11 Pt1 N1 C2 -110.2(7) . . . . ?
Pd1 Pt1 N1 C2 -20.9(6) . . . . ?
O11 Pt1 N1 C2 160.1(6) . . . . ?
N1' Pt1 N1 C6 139.8(20) . . . . ?
N11' Pt1 N1 C6 -119.7(7) . . . . ?
N11 Pt1 N1 C6 62.2(7) . . . . ?
Pd1 Pt1 N1 C6 151.5(7) . . . . ?
O11 Pt1 N1 C6 -27.5(7) . . . . ?
C6 N1 C2 N2 179.6(8) . . . . ?
Pt1 N1 C2 N2 -7.7(11) . . . . ?
C6 N1 C2 C3 1.1(13) . . . . ?
Pt1 N1 C2 C3 173.9(7) . . . . ?
N1 C2 N2 Pd1 40.4(9) . . . . ?
C3 C2 N2 Pd1 -141.2(7) . . . . ?
N1 C2 N2 Pd2 -65.4(9) . . . . ?
C3 C2 N2 Pd2 113.0(8) . . . . ?
N2' Pd1 N2 C2 -37.0(14) . . . . ?
Cl1 Pd1 N2 C2 134.8(5) . . . . ?
Pt1 Pd1 N2 C2 -43.2(5) . . . . ?
Pd3 Pd1 N2 C2 25.3(6) . . . . ?
Pd2 Pd1 N2 C2 -119.9(6) . . . . ?
N2' Pd1 N2 Pd2 82.9(11) . . . . ?
Cl1 Pd1 N2 Pd2 -105.3(2) . . . . ?
Pt1 Pd1 N2 Pd2 76.8(2) . . . . ?
Pd3 Pd1 N2 Pd2 145.22(12) . . . . ?
Pd2 Pd1 N2 Pd2 0.0 . . . . ?
N11' Pd2 N2 C2 51.7(6) . . . . ?
N31 Pd2 N2 C2 -147.2(24) . . . . ?
N32 Pd2 N2 C2 -128.1(6) . . . . ?
Pd1 Pd2 N2 C2 116.6(6) . . . . ?
N11' Pd2 N2 Pd1 -64.9(3) . . . . ?
N31 Pd2 N2 Pd1 96.2(26) . . . . ?
N32 Pd2 N2 Pd1 115.3(3) . . . . ?
Pd1 Pd2 N2 Pd1 0.0 . . . . ?
N1 C2 C3 C4 -1.3(14) . . . . ?
N2 C2 C3 C4 -179.7(9) . . . . ?
C2 C3 C4 C5 1.1(15) . . . . ?
C3 C4 C5 C6 -0.9(16) . . . . ?
C4 C5 C6 N1 0.8(15) . . . . ?
C2 N1 C6 C5 -0.9(13) . . . . ?
Pt1 N1 C6 C5 -173.5(7) . . . . ?
N1 Pt1 N1' C6' 165.8(19) . . . . ?
N11' Pt1 N1' C6' 65.8(7) . . . . ?
N11 Pt1 N1' C6' -116.0(7) . . . . ?
Pd1 Pt1 N1' C6' 154.1(6) . . . . ?
O11 Pt1 N1' C6' -26.9(7) . . . . ?
N1 Pt1 N1' C2' -12.7(25) . . . . ?
N11' Pt1 N1' C2' -112.8(6) . . . . ?
N11 Pt1 N1' C2' 65.4(6) . . . . ?
Pd1 Pt1 N1' C2' -24.4(6) . . . . ?
O11 Pt1 N1' C2' 154.6(6) . . . . ?
C6' N1' C2' N2' -178.9(7) . . . . ?
Pt1 N1' C2' N2' -0.3(10) . . . . ?
C6' N1' C2' C3' -0.4(12) . . . . ?
Pt1 N1' C2' C3' 178.2(6) . . . . ?
N1' C2' N2' Pd1 34.3(10) . . . . ?
C3' C2' N2' Pd1 -144.2(7) . . . . ?
N1' C2' N2' Pd3 -68.3(9) . . . . ?
C3' C2' N2' Pd3 113.3(8) . . . . ?
N2 Pd1 N2' C2' -47.1(14) . . . . ?
Cl1 Pd1 N2' C2' 141.0(5) . . . . ?
Pt1 Pd1 N2' C2' -41.0(5) . . . . ?
Pd3 Pd1 N2' C2' -119.8(6) . . . . ?
Pd2 Pd1 N2' C2' 23.2(7) . . . . ?
N2 Pd1 N2' Pd3 72.7(12) . . . . ?
Cl1 Pd1 N2' Pd3 -99.2(2) . . . . ?
Pt1 Pd1 N2' Pd3 78.9(2) . . . . ?
Pd3 Pd1 N2' Pd3 0.0 . . . . ?
Pd2 Pd1 N2' Pd3 143.01(12) . . . . ?
N11 Pd3 N2' C2' 44.4(6) . . . . ?
N22 Pd3 N2' C2' -139.5(6) . . . . ?
N21 Pd3 N2' C2' -145.6(25) . . . . ?
Pd1 Pd3 N2' C2' 118.3(7) . . . . ?
N11 Pd3 N2' Pd1 -73.9(3) . . . . ?
N22 Pd3 N2' Pd1 102.2(3) . . . . ?
N21 Pd3 N2' Pd1 96.1(27) . . . . ?
Pd1 Pd3 N2' Pd1 0.0 . . . . ?
N1' C2' C3' C4' 0.1(12) . . . . ?
N2' C2' C3' C4' 178.5(8) . . . . ?
C2' C3' C4' C5' -0.8(14) . . . . ?
C3' C4' C5' C6' 1.6(14) . . . . ?
C2' N1' C6' C5' 1.4(13) . . . . ?
Pt1 N1' C6' C5' -177.1(7) . . . . ?
C4' C5' C6' N1' -2.0(14) . . . . ?
