#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/93/7009380.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_7009380
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_sum            'C14 H39.2 Br2 N12 O10.6 Pd3 Pt'
_chemical_formula_weight         1219.48
_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                111.96(3)
_cell_angle_beta                 105.48(3)
_cell_angle_gamma                100.62(3)
_cell_formula_units_Z            2
_cell_length_a                   11.641(2)
_cell_length_b                   11.757(2)
_cell_length_c                   14.136(3)
_cell_measurement_reflns_used    4217
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.28
_cell_measurement_theta_min      1.67
_cell_volume                     1639.6(9)
_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 80s 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  0.047
_diffrn_reflns_av_sigmaI/netI    0.0799
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4217
_diffrn_reflns_theta_max         23.28
_diffrn_reflns_theta_min         1.67
_exptl_absorpt_coefficient_mu    8.374
_exptl_absorpt_correction_T_max  0.4090
_exptl_absorpt_correction_T_min  0.1431
_exptl_absorpt_correction_type   SCALEPACK
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.470
_exptl_crystal_description       stick
_exptl_crystal_F_000             1156
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.600
_refine_diff_density_min         -0.756
_refine_diff_density_rms         0.148
_refine_ls_extinction_coef       0.00005(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   0.973
_refine_ls_goodness_of_fit_obs   1.098
_refine_ls_hydrogen_treatment
;
 refU, except H11a to H11d roref, H2 and H2' refall
;
_refine_ls_matrix_type           full
_refine_ls_number_parameters     402
_refine_ls_number_reflns         4211
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.081
_refine_ls_restrained_S_obs      1.096
_refine_ls_R_factor_all          0.0791
_refine_ls_R_factor_obs          0.0412
_refine_ls_shift/esd_max         0.062
_refine_ls_shift/esd_mean        0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0424P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1024
_refine_ls_wR_factor_obs         0.0835
_reflns_number_observed          2844
_reflns_number_total             4217
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b000456l.txt
_cod_data_source_block           4c
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0424P)^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^)+(0.0424P)^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        1639.6(5)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C14 H39.20 Br2 N12 O10.60 Pd3 Pt'
_cod_database_code               7009380
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 0.11147(4) 0.36978(5) 0.25787(4) 0.0381(2) Uani 1 d . .
Pd1 Pd 0.27189(8) 0.52839(9) 0.24341(7) 0.0383(3) Uani 1 d . .
Pd2 Pd 0.18174(9) 0.69574(9) 0.39955(8) 0.0441(3) Uani 1 d . .
Pd3 Pd 0.27481(9) 0.26871(9) 0.09191(8) 0.0449(3) Uani 1 d . .
Br1 Br 0.43584(12) 0.70331(13) 0.24984(11) 0.0564(4) Uani 1 d . .
Br2 Br -0.06536(12) 0.18349(13) 0.27029(11) 0.0581(4) Uani 1 d . .
N11 N 0.1196(8) 0.2261(8) 0.1259(8) 0.045(3) Uani 1 d . .
H11A H 0.1151(8) 0.1555(8) 0.1376(8) 0.059 Uiso 1 calc R .
H11B H 0.0518(8) 0.2058(8) 0.0667(8) 0.059 Uiso 1 calc R .
N11' N 0.1071(8) 0.5192(9) 0.3900(8) 0.044(3) Uani 1 d . .
H11C H 0.0269(8) 0.5085(9) 0.3853(8) 0.057 Uiso 1 calc R .
H11D H 0.1501(8) 0.5165(9) 0.4519(8) 0.057 Uiso 1 calc R .
N21 N 0.2651(10) 0.8770(10) 0.4167(9) 0.063(3) Uani 1 d . .
H21A H 0.3120(10) 0.8716(10) 0.3748(9) 0.088(19) Uiso 1 calc R .
H21B H 0.2061(10) 0.9116(10) 0.3959(9) 0.088(19) Uiso 1 calc R .
N22 N 0.2389(10) 0.7898(10) 0.5674(8) 0.057(3) Uani 1 d . .
H22A H 0.1730(10) 0.7744(10) 0.5878(8) 0.088(19) Uiso 1 calc R .
H22B H 0.2973(10) 0.7607(10) 0.5983(8) 0.088(19) Uiso 1 calc R .
C21 C 0.3452(18) 0.9577(17) 0.5339(14) 0.109(6) Uani 1 d . .
H21C H 0.4266(18) 0.9442(17) 0.5471(14) 0.100(20) Uiso 1 calc R .
H21D H 0.3584(18) 1.0482(17) 0.5510(14) 0.100(20) Uiso 1 calc R .
C22 C 0.2916(19) 0.9288(17) 0.6037(15) 0.129(9) Uani 1 d . .
H22C H 0.2255(19) 0.9680(17) 0.6081(15) 0.100(20) Uiso 1 calc R .
H22D H 0.3554(19) 0.9672(17) 0.6768(15) 0.100(20) Uiso 1 calc R .
N31 N 0.1850(10) 0.1368(11) -0.0672(9) 0.068(3) Uani 1 d . .
H31A H 0.1775(10) 0.0564(11) -0.0736(9) 0.088(19) Uiso 1 calc R .
H31B H 0.1076(10) 0.1417(11) -0.0934(9) 0.088(19) Uiso 1 calc R .
N32 N 0.4270(10) 0.3015(13) 0.0444(10) 0.075(4) Uani 1 d . .
H32A H 0.4449(10) 0.3802(13) 0.0462(10) 0.088(19) Uiso 1 calc R .
H32B H 0.4952(10) 0.2979(13) 0.0902(10) 0.088(19) Uiso 1 calc R .
C31 C 0.2589(15) 0.1652(16) -0.1277(13) 0.091(5) Uani 1 d . .
H31C H 0.2324(15) 0.0906(16) -0.1983(13) 0.100(20) Uiso 1 calc R .
H31D H 0.2428(15) 0.2369(16) -0.1412(13) 0.100(20) Uiso 1 calc R .
C32 C 0.3916(15) 0.1975(16) -0.0713(12) 0.083(5) Uani 1 d . .
H32C H 0.4382(15) 0.2289(16) -0.1090(12) 0.100(20) Uiso 1 calc R .
H32D H 0.4116(15) 0.1216(16) -0.0694(12) 0.100(20) Uiso 1 calc R .
N1 N -0.0186(9) 0.4149(10) 0.1638(8) 0.042(3) Uani 1 d . .
C2 C 0.0135(12) 0.5296(13) 0.1641(10) 0.044(3) Uani 1 d . .
N2 N 0.1334(10) 0.6151(11) 0.2310(9) 0.044(3) Uani 1 d . .
C3 C -0.0705(12) 0.5624(13) 0.0929(10) 0.057(4) Uani 1 d . .
H3 H -0.0461(12) 0.6416(13) 0.0917(10) 0.038(11) Uiso 1 calc R .
C4 C -0.1880(13) 0.4757(16) 0.0261(11) 0.063(4) Uani 1 d . .
H4 H -0.2454(13) 0.4963(16) -0.0194(11) 0.038(11) Uiso 1 calc R .
C5 C -0.2203(12) 0.3560(15) 0.0272(11) 0.064(4) Uani 1 d . .
H5 H -0.2997(12) 0.2959(15) -0.0170(11) 0.038(11) Uiso 1 calc R .
C6 C -0.1333(11) 0.3285(12) 0.0945(10) 0.048(3) Uani 1 d . .
H6 H -0.1538(11) 0.2472(12) 0.0925(10) 0.038(11) Uiso 1 calc R .
N1' N 0.2619(8) 0.3408(9) 0.3496(8) 0.043(3) Uani 1 d . .
C2' C 0.3716(11) 0.3655(11) 0.3329(10) 0.046(3) Uani 1 d . .
N2' N 0.3742(9) 0.4070(10) 0.2514(8) 0.039(3) Uani 1 d . .
C3' C 0.4750(11) 0.3507(11) 0.3971(10) 0.047(3) Uani 1 d . .
H3' H 0.5499(11) 0.3633(11) 0.3847(10) 0.038(11) Uiso 1 calc R .
C4' C 0.4670(13) 0.3176(13) 0.4791(11) 0.056(4) Uani 1 d . .
H4' H 0.5381(13) 0.3118(13) 0.5240(11) 0.038(11) Uiso 1 calc R .
C5' C 0.3579(13) 0.2932(12) 0.4959(11) 0.061(4) Uani 1 d . .
H5' H 0.3526(13) 0.2688(12) 0.5505(11) 0.038(11) Uiso 1 calc R .
C6' C 0.2551(12) 0.3055(11) 0.4302(10) 0.047(3) Uani 1 d . .
H6' H 0.1794(12) 0.2894(11) 0.4407(10) 0.038(11) Uiso 1 calc R .
N10 N 0.1495(9) 0.9237(11) 0.1616(9) 0.035(3) Uani 1 d . .
O11 O 0.1257(13) 0.9501(11) 0.1000(12) 0.111(5) Uani 1 d . .
O12 O 0.0904(13) 0.8590(14) 0.1794(12) 0.126(5) Uiso 1 d . .
O13 O 0.2549(18) 0.9616(18) 0.2213(15) 0.187(7) Uiso 1 d . .
N20 N 0.7508(10) 0.4799(13) 0.3162(9) 0.054(3) Uani 1 d D .
O21 O 0.7541(19) 0.4123(16) 0.3610(16) 0.075(5) Uani 0.60 d PD 1
O22 O 0.8519(15) 0.5582(16) 0.3559(18) 0.099(7) Uani 0.60 d PD 1
O23 O 0.6583(16) 0.4835(21) 0.2571(14) 0.087(6) Uani 0.60 d PD 1
O22A O 0.7913(35) 0.5544(27) 0.2857(31) 0.114(12) Uiso 0.40 d PD 2
O23A O 0.6508(22) 0.3987(30) 0.2686(30) 0.131(15) Uiso 0.40 d PD 2
O21A O 0.8314(29) 0.4807(40) 0.3889(21) 0.094(12) Uiso 0.40 d PD 2
H2 H 0.1686(81) 0.6752(85) 0.2223(73) 0.008(29) Uiso 1 d . .
H2' H 0.4576(118) 0.4436(125) 0.2683(106) 0.081(49) Uiso 1 d . .
O1W O 0.0649(11) 0.0051(11) 0.3953(11) 0.116(4) Uani 1 d . .
O2W O 0.5992(11) 0.1571(13) 0.1396(12) 0.144(5) Uani 1 d . .
O3W O 0.3561(14) -0.0163(14) 0.0444(14) 0.153(5) Uani 1 d . .
O4W O 0.8902(17) 0.8169(13) 0.3969(14) 0.179(7) Uani 1 d . .
O5W O 0.5856(18) 0.5532(19) 0.1016(18) 0.121(7) Uani 0.60 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'
Br Br -0.2901 2.4595 '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 N11 93.2(4) . . ?
N1 Pt1 N1' 171.8(4) . . ?
N11 Pt1 N1' 86.0(4) . . ?
N1 Pt1 N11' 86.4(4) . . ?
N11 Pt1 N11' 178.0(4) . . ?
N1' Pt1 N11' 94.2(4) . . ?
N1 Pt1 Pd1 86.4(3) . . ?
N11 Pt1 Pd1 89.3(3) . . ?
N1' Pt1 Pd1 85.5(3) . . ?
N11' Pt1 Pd1 88.8(3) . . ?
N1 Pt1 Br2 94.8(3) . . ?
N11 Pt1 Br2 88.7(3) . . ?
N1' Pt1 Br2 93.4(3) . . ?
N11' Pt1 Br2 93.3(3) . . ?
Pd1 Pt1 Br2 177.75(4) . . ?
N2' Pd1 N2 166.0(5) . . ?
N2' Pd1 Br1 98.2(3) . . ?
N2 Pd1 Br1 95.7(3) . . ?
N2' Pd1 Pt1 83.7(3) . . ?
N2 Pd1 Pt1 82.5(3) . . ?
Br1 Pd1 Pt1 173.74(6) . . ?
N2' Pd1 Pd2 133.3(3) . . ?
N2 Pd1 Pd2 45.0(3) . . ?
Br1 Pd1 Pd2 97.19(6) . . ?
Pt1 Pd1 Pd2 77.31(4) . . ?
N2' Pd1 Pd3 42.8(3) . . ?
N2 Pd1 Pd3 130.1(3) . . ?
Br1 Pd1 Pd3 109.50(6) . . ?
Pt1 Pd1 Pd3 75.96(4) . . ?
Pd2 Pd1 Pd3 153.27(5) . . ?
N11' Pd2 N22 94.0(4) . . ?
N11' Pd2 N21 177.0(4) . . ?
N22 Pd2 N21 83.6(4) . . ?
N11' Pd2 N2 90.8(4) . . ?
N22 Pd2 N2 175.1(5) . . ?
N21 Pd2 N2 91.6(5) . . ?
N11' Pd2 Pd1 77.7(3) . . ?
N22 Pd2 Pd1 135.6(3) . . ?
N21 Pd2 Pd1 102.7(3) . . ?
N2 Pd2 Pd1 44.7(3) . . ?
N11 Pd3 N31 91.7(4) . . ?
N11 Pd3 N2' 91.4(4) . . ?
N31 Pd3 N2' 176.8(4) . . ?
N11 Pd3 N32 175.5(4) . . ?
N31 Pd3 N32 83.8(5) . . ?
N2' Pd3 N32 93.0(4) . . ?
N11 Pd3 Pd1 76.1(3) . . ?
N31 Pd3 Pd1 138.2(3) . . ?
N2' Pd3 Pd1 42.2(2) . . ?
N32 Pd3 Pd1 107.4(4) . . ?
Pd3 N11 Pt1 115.0(4) . . ?
Pd2 N11' Pt1 112.9(4) . . ?
C21 N21 Pd2 107.1(10) . . ?
C22 N22 Pd2 108.7(10) . . ?
C22 C21 N21 112.2(16) . . ?
C21 C22 N22 113.4(14) . . ?
C31 N31 Pd3 107.5(9) . . ?
C32 N32 Pd3 107.6(9) . . ?
C32 C31 N31 113.0(14) . . ?
C31 C32 N32 107.9(12) . . ?
C2 N1 C6 119.1(11) . . ?
C2 N1 Pt1 118.6(8) . . ?
C6 N1 Pt1 122.1(8) . . ?
N1 C2 N2 118.9(11) . . ?
N1 C2 C3 121.1(12) . . ?
N2 C2 C3 119.9(12) . . ?
C2 N2 Pd1 114.3(8) . . ?
C2 N2 Pd2 118.8(8) . . ?
Pd1 N2 Pd2 90.3(4) . . ?
C4 C3 C2 119.0(14) . . ?
C3 C4 C5 119.1(13) . . ?
C6 C5 C4 118.9(13) . . ?
N1 C6 C5 122.7(13) . . ?
C2' N1' C6' 120.5(10) . . ?
C2' N1' Pt1 118.2(8) . . ?
C6' N1' Pt1 121.2(8) . . ?
N1' C2' C3' 118.7(12) . . ?
N1' C2' N2' 117.9(11) . . ?
C3' C2' N2' 123.4(11) . . ?
C2' N2' Pd1 113.7(7) . . ?
C2' N2' Pd3 115.5(8) . . ?
Pd1 N2' Pd3 94.9(4) . . ?
C4' C3' C2' 119.9(12) . . ?
C5' C4' C3' 121.4(12) . . ?
C4' C5' C6' 118.2(13) . . ?
N1' C6' C5' 121.3(12) . . ?
O11 N10 O12 128.6(16) . . ?
O11 N10 O13 119.5(16) . . ?
O12 N10 O13 111.9(15) . . ?
O21 N20 O22 107.4(16) . . ?
O21A N20 O23A 123.0(35) . . ?
O21A N20 O22A 110.8(32) . . ?
O23A N20 O22A 124.8(28) . . ?
O21 N20 O23 125.9(19) . . ?
O22 N20 O23 125.5(19) . . ?
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 2.023(9) . ?
Pt1 N11 2.035(9) . ?
Pt1 N1' 2.050(9) . ?
Pt1 N11' 2.051(9) . ?
Pt1 Pd1 2.4924(13) . ?
Pt1 Br2 2.808(2) . ?
Pd1 N2' 2.035(9) . ?
Pd1 N2 2.063(9) . ?
Pd1 Br1 2.490(2) . ?
Pd1 Pd2 2.932(2) . ?
Pd1 Pd3 3.016(2) . ?
Pd2 N11' 2.036(9) . ?
Pd2 N22 2.053(10) . ?
Pd2 N21 2.065(10) . ?
Pd2 N2 2.072(11) . ?
Pd3 N11 2.014(9) . ?
Pd3 N31 2.024(10) . ?
Pd3 N2' 2.058(10) . ?
Pd3 N32 2.078(10) . ?
N21 C21 1.48(2) . ?
N22 C22 1.47(2) . ?
C21 C22 1.41(2) . ?
N31 C31 1.44(2) . ?
N32 C32 1.52(2) . ?
C31 C32 1.44(2) . ?
N1 C2 1.329(14) . ?
N1 C6 1.353(14) . ?
C2 N2 1.39(2) . ?
C2 C3 1.42(2) . ?
C3 C4 1.37(2) . ?
C4 C5 1.39(2) . ?
C5 C6 1.37(2) . ?
N1' C2' 1.358(14) . ?
N1' C6' 1.365(14) . ?
C2' C3' 1.384(15) . ?
C2' N2' 1.42(2) . ?
C3' C4' 1.37(2) . ?
C4' C5' 1.35(2) . ?
C5' C6' 1.37(2) . ?
N10 O11 1.018(13) . ?
N10 O12 1.08(2) . ?
N10 O13 1.18(2) . ?
N20 O21 1.187(8) . ?
N20 O22 1.187(8) . ?
N20 O21A 1.187(8) . ?
N20 O23A 1.188(8) . ?
N20 O22A 1.189(8) . ?
N20 O23 1.193(7) . ?
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' -147.9(4) . . . . ?
N11 Pt1 Pd1 N2' -54.6(4) . . . . ?
N1' Pt1 Pd1 N2' 31.3(4) . . . . ?
N11' Pt1 Pd1 N2' 125.6(4) . . . . ?
Br2 Pt1 Pd1 N2' -27.6(11) . . . . ?
N1 Pt1 Pd1 N2 29.6(4) . . . . ?
N11 Pt1 Pd1 N2 122.9(4) . . . . ?
N1' Pt1 Pd1 N2 -151.2(4) . . . . ?
N11' Pt1 Pd1 N2 -56.9(4) . . . . ?
Br2 Pt1 Pd1 N2 149.9(11) . . . . ?
N1 Pt1 Pd1 Br1 103.8(5) . . . . ?
N11 Pt1 Pd1 Br1 -162.9(5) . . . . ?
N1' Pt1 Pd1 Br1 -76.9(5) . . . . ?
N11' Pt1 Pd1 Br1 17.4(5) . . . . ?
Br2 Pt1 Pd1 Br1 -135.9(10) . . . . ?
N1 Pt1 Pd1 Pd2 75.0(3) . . . . ?
N11 Pt1 Pd1 Pd2 168.3(3) . . . . ?
N1' Pt1 Pd1 Pd2 -105.7(3) . . . . ?
N11' Pt1 Pd1 Pd2 -11.4(2) . . . . ?
Br2 Pt1 Pd1 Pd2 -164.7(10) . . . . ?
N1 Pt1 Pd1 Pd3 -105.0(3) . . . . ?
N11 Pt1 Pd1 Pd3 -11.8(3) . . . . ?
N1' Pt1 Pd1 Pd3 74.2(3) . . . . ?
N11' Pt1 Pd1 Pd3 168.5(2) . . . . ?
Br2 Pt1 Pd1 Pd3 15.3(10) . . . . ?
N2' Pd1 Pd2 N11' -56.7(5) . . . . ?
N2 Pd1 Pd2 N11' 103.9(5) . . . . ?
Br1 Pd1 Pd2 N11' -165.2(3) . . . . ?
Pt1 Pd1 Pd2 N11' 11.8(3) . . . . ?
Pd3 Pd1 Pd2 N11' 11.7(3) . . . . ?
N2' Pd1 Pd2 N22 26.4(6) . . . . ?
N2 Pd1 Pd2 N22 -173.0(6) . . . . ?
Br1 Pd1 Pd2 N22 -82.1(4) . . . . ?
Pt1 Pd1 Pd2 N22 94.9(4) . . . . ?
Pd3 Pd1 Pd2 N22 94.8(5) . . . . ?
N2' Pd1 Pd2 N21 120.3(5) . . . . ?
N2 Pd1 Pd2 N21 -79.2(6) . . . . ?
Br1 Pd1 Pd2 N21 11.8(3) . . . . ?
Pt1 Pd1 Pd2 N21 -171.3(3) . . . . ?
Pd3 Pd1 Pd2 N21 -171.4(3) . . . . ?
N2' Pd1 Pd2 N2 -160.6(6) . . . . ?
N2 Pd1 Pd2 N2 0.000(4) . . . . ?
Br1 Pd1 Pd2 N2 90.9(5) . . . . ?
Pt1 Pd1 Pd2 N2 -92.1(5) . . . . ?
Pd3 Pd1 Pd2 N2 -92.2(5) . . . . ?
N2' Pd1 Pd3 N11 108.2(5) . . . . ?
N2 Pd1 Pd3 N11 -55.0(5) . . . . ?
Br1 Pd1 Pd3 N11 -170.9(3) . . . . ?
Pt1 Pd1 Pd3 N11 12.3(3) . . . . ?
Pd2 Pd1 Pd3 N11 12.4(3) . . . . ?
N2' Pd1 Pd3 N31 -175.2(6) . . . . ?
N2 Pd1 Pd3 N31 21.6(7) . . . . ?
Br1 Pd1 Pd3 N31 -94.3(5) . . . . ?
Pt1 Pd1 Pd3 N31 88.9(5) . . . . ?
Pd2 Pd1 Pd3 N31 89.0(5) . . . . ?
N2' Pd1 Pd3 N2' 0.000(3) . . . . ?
N2 Pd1 Pd3 N2' -163.2(6) . . . . ?
Br1 Pd1 Pd3 N2' 80.9(4) . . . . ?
Pt1 Pd1 Pd3 N2' -95.9(4) . . . . ?
Pd2 Pd1 Pd3 N2' -95.8(4) . . . . ?
N2' Pd1 Pd3 N32 -74.7(5) . . . . ?
N2 Pd1 Pd3 N32 122.1(5) . . . . ?
Br1 Pd1 Pd3 N32 6.2(3) . . . . ?
Pt1 Pd1 Pd3 N32 -170.6(3) . . . . ?
Pd2 Pd1 Pd3 N32 -170.5(3) . . . . ?
N31 Pd3 N11 Pt1 -155.8(5) . . . . ?
N2' Pd3 N11 Pt1 23.5(5) . . . . ?
N32 Pd3 N11 Pt1 -157.9(51) . . . . ?
Pd1 Pd3 N11 Pt1 -16.2(4) . . . . ?
N1 Pt1 N11 Pd3 105.4(5) . . . . ?
N1' Pt1 N11 Pd3 -66.4(5) . . . . ?
N11' Pt1 N11 Pd3 27.1(106) . . . . ?
Pd1 Pt1 N11 Pd3 19.1(4) . . . . ?
Br2 Pt1 N11 Pd3 -159.9(4) . . . . ?
N22 Pd2 N11' Pt1 -151.1(5) . . . . ?
N21 Pd2 N11' Pt1 -112.6(72) . . . . ?
N2 Pd2 N11' Pt1 27.8(4) . . . . ?
Pd1 Pd2 N11' Pt1 -15.3(3) . . . . ?
N1 Pt1 N11' Pd2 -68.8(5) . . . . ?
N11 Pt1 N11' Pd2 9.6(105) . . . . ?
N1' Pt1 N11' Pd2 103.0(5) . . . . ?
Pd1 Pt1 N11' Pd2 17.6(4) . . . . ?
Br2 Pt1 N11' Pd2 -163.4(4) . . . . ?
N11' Pd2 N21 C21 -23.4(77) . . . . ?
N22 Pd2 N21 C21 15.3(10) . . . . ?
N2 Pd2 N21 C21 -163.8(10) . . . . ?
Pd1 Pd2 N21 C21 -120.0(10) . . . . ?
N11' Pd2 N22 C22 -175.7(10) . . . . ?
N21 Pd2 N22 C22 6.2(10) . . . . ?
N2 Pd2 N22 C22 16.6(49) . . . . ?
Pd1 Pd2 N22 C22 107.8(10) . . . . ?
Pd2 N21 C21 C22 -36.1(19) . . . . ?
N21 C21 C22 N22 44.3(25) . . . . ?
Pd2 N22 C22 C21 -28.8(21) . . . . ?
N11 Pd3 N31 C31 163.6(10) . . . . ?
N2' Pd3 N31 C31 -3.8(77) . . . . ?
N32 Pd3 N31 C31 -16.5(10) . . . . ?
Pd1 Pd3 N31 C31 92.8(10) . . . . ?
N11 Pd3 N32 C32 -6.8(58) . . . . ?
N31 Pd3 N32 C32 -8.9(9) . . . . ?
N2' Pd3 N32 C32 171.8(9) . . . . ?
Pd1 Pd3 N32 C32 -147.7(8) . . . . ?
Pd3 N31 C31 C32 42.2(16) . . . . ?
N31 C31 C32 N32 -50.8(18) . . . . ?
Pd3 N32 C32 C31 32.9(15) . . . . ?
N11 Pt1 N1 C2 -113.8(9) . . . . ?
N1' Pt1 N1 C2 -30.1(31) . . . . ?
N11' Pt1 N1 C2 64.2(9) . . . . ?
Pd1 Pt1 N1 C2 -24.7(8) . . . . ?
Br2 Pt1 N1 C2 157.2(8) . . . . ?
N11 Pt1 N1 C6 60.9(9) . . . . ?
N1' Pt1 N1 C6 144.7(24) . . . . ?
N11' Pt1 N1 C6 -121.0(10) . . . . ?
Pd1 Pt1 N1 C6 150.0(9) . . . . ?
Br2 Pt1 N1 C6 -28.0(9) . . . . ?
C6 N1 C2 N2 -176.6(11) . . . . ?
Pt1 N1 C2 N2 -1.7(15) . . . . ?
C6 N1 C2 C3 -0.1(17) . . . . ?
Pt1 N1 C2 C3 174.8(9) . . . . ?
N1 C2 N2 Pd1 36.7(14) . . . . ?
C3 C2 N2 Pd1 -139.9(9) . . . . ?
N1 C2 N2 Pd2 -68.1(13) . . . . ?
C3 C2 N2 Pd2 115.3(11) . . . . ?
N2' Pd1 N2 C2 -32.2(22) . . . . ?
Br1 Pd1 N2 C2 143.5(8) . . . . ?
Pt1 Pd1 N2 C2 -42.5(8) . . . . ?
Pd2 Pd1 N2 C2 -122.0(10) . . . . ?
Pd3 Pd1 N2 C2 22.0(11) . . . . ?
N2' Pd1 N2 Pd2 89.8(17) . . . . ?
Br1 Pd1 N2 Pd2 -94.4(3) . . . . ?
Pt1 Pd1 N2 Pd2 79.5(3) . . . . ?
Pd2 Pd1 N2 Pd2 0.000(4) . . . . ?
Pd3 Pd1 N2 Pd2 144.0(2) . . . . ?
N11' Pd2 N2 C2 46.7(9) . . . . ?
N22 Pd2 N2 C2 -145.6(42) . . . . ?
N21 Pd2 N2 C2 -135.3(9) . . . . ?
Pd1 Pd2 N2 C2 118.2(10) . . . . ?
N11' Pd2 N2 Pd1 -71.6(4) . . . . ?
N22 Pd2 N2 Pd1 96.2(44) . . . . ?
N21 Pd2 N2 Pd1 106.5(4) . . . . ?
Pd1 Pd2 N2 Pd1 0.000(3) . . . . ?
N1 C2 C3 C4 2.5(18) . . . . ?
N2 C2 C3 C4 178.9(12) . . . . ?
C2 C3 C4 C5 -2.1(20) . . . . ?
C3 C4 C5 C6 -0.5(20) . . . . ?
C2 N1 C6 C5 -2.6(18) . . . . ?
Pt1 N1 C6 C5 -177.3(9) . . . . ?
C4 C5 C6 N1 2.9(20) . . . . ?
N1 Pt1 N1' C2' -20.3(31) . . . . ?
N11 Pt1 N1' C2' 64.0(8) . . . . ?
N11' Pt1 N1' C2' -114.0(8) . . . . ?
Pd1 Pt1 N1' C2' -25.6(8) . . . . ?
Br2 Pt1 N1' C2' 152.4(8) . . . . ?
N1 Pt1 N1' C6' 155.7(24) . . . . ?
N11 Pt1 N1' C6' -120.1(9) . . . . ?
N11' Pt1 N1' C6' 61.9(9) . . . . ?
Pd1 Pt1 N1' C6' 150.3(9) . . . . ?
Br2 Pt1 N1' C6' -31.6(9) . . . . ?
C6' N1' C2' C3' 1.7(17) . . . . ?
Pt1 N1' C2' C3' 177.7(8) . . . . ?
C6' N1' C2' N2' -177.4(10) . . . . ?
Pt1 N1' C2' N2' -1.4(14) . . . . ?
N1' C2' N2' Pd1 37.7(13) . . . . ?
C3' C2' N2' Pd1 -141.4(10) . . . . ?
N1' C2' N2' Pd3 -70.6(12) . . . . ?
C3' C2' N2' Pd3 110.3(11) . . . . ?
N2 Pd1 N2' C2' -54.9(20) . . . . ?
Br1 Pd1 N2' C2' 129.4(8) . . . . ?
Pt1 Pd1 N2' C2' -44.6(8) . . . . ?
Pd2 Pd1 N2' C2' 21.4(10) . . . . ?
Pd3 Pd1 N2' C2' -120.7(10) . . . . ?
N2 Pd1 N2' Pd3 65.8(17) . . . . ?
Br1 Pd1 N2' Pd3 -109.9(3) . . . . ?
Pt1 Pd1 N2' Pd3 76.1(3) . . . . ?
Pd2 Pd1 N2' Pd3 142.1(2) . . . . ?
Pd3 Pd1 N2' Pd3 0.0 . . . . ?
N11 Pd3 N2' C2' 52.0(8) . . . . ?
N31 Pd3 N2' C2' -140.6(70) . . . . ?
N32 Pd3 N2' C2' -127.9(8) . . . . ?
Pd1 Pd3 N2' C2' 119.3(9) . . . . ?
N11 Pd3 N2' Pd1 -67.3(4) . . . . ?
N31 Pd3 N2' Pd1 100.1(71) . . . . ?
N32 Pd3 N2' Pd1 112.8(5) . . . . ?
Pd1 Pd3 N2' Pd1 0.000(2) . . . . ?
N1' C2' C3' C4' -3.0(18) . . . . ?
N2' C2' C3' C4' 176.0(12) . . . . ?
C2' C3' C4' C5' 2.9(20) . . . . ?
C3' C4' C5' C6' -1.5(20) . . . . ?
C2' N1' C6' C5' -0.4(17) . . . . ?
Pt1 N1' C6' C5' -176.2(9) . . . . ?
C4' C5' C6' N1' 0.2(19) . . . . ?
