#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:41:49 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179731 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/27/7002725.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_7002725
loop_
_publ_author_name
'Pérez, José'
'Espinosa, Arturo'
'Galiana, J. Miguel'
'Pérez, Eduardo'
'Serrano, J. Luis'
'Aranda, Miguel A. G.'
'Insausti, Maite'
_publ_section_title
;
 Orthogonal non-covalent binding forces in solid state supramolecular
 herringbone-shaped “interlocked dimers”.
 Pseudopolymorphism in [(ppy)Pd(μ-pz)]2 (ppy = 2-(2-pyridyl)phenyl, pz
 = pyrazol-1-yl) complex
;
_journal_issue                   43
_journal_name_full               'Dalton Transactions'
_journal_page_first              9625
_journal_page_last               9636
_journal_paper_doi               10.1039/b910502f
_journal_year                    2009
_chemical_compound_source
;
;
_chemical_formula_sum            'C28.5 H22.5 Cl1.5 N6 Pd2'
_chemical_formula_weight         715
_chemical_name_systematic        ?
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 103.188(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.849(1)
_cell_length_b                   11.644(1)
_cell_length_c                   23.217(1)
_cell_measurement_radiation      MoK\a
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      30.00
_cell_measurement_theta_min      15.00
_cell_measurement_wavelength     0.71073
_cell_volume                     5224.4(6)
_computing_structure_refinement  ' SHELXL'
_computing_structure_solution    ' SHELXS'
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.000
_diffrn_measured_fraction_theta_max 0.940
_diffrn_radiation_detector       'CCD plate'
_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  0.0441
_diffrn_reflns_av_unetI/netI     0.0384
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            59364
_diffrn_reflns_theta_full        0.50
_diffrn_reflns_theta_max         28.25
_diffrn_reflns_theta_min         1.80
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.535
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.9800
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.775
_exptl_crystal_description       prism
_exptl_crystal_F_000             2824
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.867
_refine_diff_density_min         -2.055
_refine_diff_density_rms         0.122
_refine_ls_abs_structure_details
;
;
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     685
_refine_ls_number_reflns         12165
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0464
_refine_ls_R_factor_gt           0.0366
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0449P)²+9.7457P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0843
_refine_ls_wR_factor_ref         0.0885
_reflns_d_resolution_high        0.751
_reflns_d_resolution_low         11.302
_reflns_limit_h_max              26
_reflns_limit_h_min              0
_reflns_limit_k_max              15
_reflns_limit_k_min              0
_reflns_limit_l_max              29
_reflns_limit_l_min              -30
_reflns_number_gt                10134
_reflns_number_total             12165
_reflns_threshold_expression     ' F >3.0 σ(F) '
_cod_data_source_file            b910502f.txt
_cod_data_source_block           complex3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_refine_ls_matrix_type' value 'Full' changed to 'full'
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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        5224.5(6)
_cod_database_code               7002725
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.423020(13) -0.24168(2) 0.321052(11) 0.01317(6) Uani 1 1 d . . .
Pd2 Pd 0.482203(13) 0.01728(2) 0.350679(11) 0.01369(6) Uani 1 1 d . . .
Pd3 Pd -0.059468(13) -0.28510(2) 0.322845(11) 0.01419(7) Uani 1 1 d . . .
Pd4 Pd 0.087051(13) -0.18699(2) 0.400511(11) 0.01427(7) Uani 1 1 d . . .
Cl1 Cl 0.23426(6) -0.38640(10) 0.15586(6) 0.0407(3) Uani 1 1 d . . .
Cl2 Cl 0.35464(7) -0.25688(10) 0.14951(7) 0.0526(4) Uani 1 1 d . . .
Cl3 Cl 0.21772(9) -0.16458(11) 0.09788(6) 0.0639(4) Uani 1 1 d . . .
N4 N 0.38474(15) 0.0002(2) 0.29569(13) 0.0176(6) Uani 1 1 d . . .
N7 N -0.12098(15) -0.1676(3) 0.27193(12) 0.0164(6) Uani 1 1 d . . .
N1 N 0.48331(14) -0.3751(3) 0.35773(12) 0.0165(6) Uani 1 1 d . . .
C1 C 0.36197(16) -0.3047(3) 0.37091(14) 0.0127(6) Uani 1 1 d . . .
N3 N 0.35943(14) -0.1089(2) 0.28818(12) 0.0161(6) Uani 1 1 d . . .
C29 C -0.14057(17) -0.2980(3) 0.35908(15) 0.0161(7) Uani 1 1 d . . .
N11 N -0.00145(15) -0.3995(3) 0.37717(13) 0.0180(6) Uani 1 1 d . . .
N10 N 0.08474(15) -0.2263(3) 0.31489(13) 0.0186(6) Uani 1 1 d . . .
N60 N 0.45165(17) 0.1121(3) 0.41229(14) 0.0236(7) Uani 1 1 d . . .
N6 N 0.52097(15) -0.0750(3) 0.28997(12) 0.0166(6) Uani 1 1 d . . .
N9 N 0.02350(15) -0.2670(3) 0.28229(13) 0.0193(6) Uani 1 1 d . . .
C60 C 0.57221(16) 0.0235(3) 0.41103(14) 0.0118(6) Uani 1 1 d . . .
C26 C 0.52120(19) -0.2188(3) 0.23010(16) 0.0202(7) Uani 1 1 d . . .
H26 H 0.5107 -0.2890 0.2110 0.024 Uiso 1 1 calc R . .
N5 N 0.49273(15) -0.1789(2) 0.27333(12) 0.0161(6) Uani 1 1 d . . .
N61 N 0.08099(14) -0.1351(3) 0.48245(12) 0.0174(6) Uani 1 1 d . . .
C24 C 0.27908(19) 0.0071(3) 0.23624(16) 0.0216(8) Uani 1 1 d . . .
H24 H 0.2383 0.0343 0.2120 0.026 Uiso 1 1 calc R . .
C16 C 0.62698(19) 0.0863(3) 0.50964(16) 0.0231(8) Uani 1 1 d . . .
H16 H 0.6243 0.1257 0.5439 0.028 Uiso 1 1 calc R . .
N12 N 0.05847(14) -0.3583(3) 0.41225(12) 0.0162(6) Uani 1 1 d . . .
C7 C 0.45628(18) -0.4415(3) 0.39589(15) 0.0175(7) Uani 1 1 d . . .
C30 C -0.14742(19) -0.3629(3) 0.40780(15) 0.0197(7) Uani 1 1 d . . .
H30 H -0.1104 -0.4070 0.4278 0.024 Uiso 1 1 calc R . .
C27 C 0.56831(18) -0.1405(3) 0.21804(16) 0.0211(8) Uani 1 1 d . . .
H27 H 0.5952 -0.1466 0.1902 0.025 Uiso 1 1 calc R . .
C61 C 0.11955(17) -0.0262(3) 0.39611(16) 0.0179(7) Uani 1 1 d . . .
C14 C 0.69096(19) -0.0254(3) 0.45409(17) 0.0232(8) Uani 1 1 d . . .
H14 H 0.7316 -0.0616 0.4506 0.028 Uiso 1 1 calc R . .
C38 C -0.1496(2) -0.0268(3) 0.19545(17) 0.0255(8) Uani 1 1 d . . .
H38 H -0.1357 0.0197 0.1677 0.031 Uiso 1 1 calc R . .
C32 C -0.2652(2) -0.2989(3) 0.39718(18) 0.0252(8) Uani 1 1 d . . .
H32 H -0.3064 -0.3000 0.4099 0.030 Uiso 1 1 calc R . .
C15 C 0.6883(2) 0.0329(3) 0.50554(17) 0.0260(8) Uani 1 1 d . . .
H15 H 0.7270 0.0362 0.5369 0.031 Uiso 1 1 calc R . .
C35 C -0.18672(18) -0.1614(3) 0.28050(15) 0.0174(7) Uani 1 1 d . . .
C28 C 0.56639(18) -0.0510(3) 0.25663(16) 0.0200(7) Uani 1 1 d . . .
H28 H 0.5926 0.0158 0.2592 0.024 Uiso 1 1 calc R . .
C41 C 0.1402(2) 0.0285(4) 0.34993(18) 0.0266(8) Uani 1 1 d . . .
H41 H 0.1374 -0.0108 0.3146 0.032 Uiso 1 1 calc R . .
C50 C 0.05327(18) -0.1965(3) 0.52033(15) 0.0200(7) Uani 1 1 d . . .
H50 H 0.0403 -0.2722 0.5109 0.024 Uiso 1 1 calc R . .
C18 C 0.50214(17) 0.1316(3) 0.46294(15) 0.0159(7) Uani 1 1 d . . .
C23 C 0.29590(18) -0.1050(3) 0.25255(15) 0.0194(7) Uani 1 1 d . . .
H23 H 0.2675 -0.1683 0.2407 0.023 Uiso 1 1 calc R . .
C19 C 0.48794(19) 0.1938(3) 0.51013(16) 0.0196(7) Uani 1 1 d . . .
H19 H 0.5224 0.2060 0.5441 0.024 Uiso 1 1 calc R . .
C51 C 0.0318(2) -0.2906(3) 0.22775(16) 0.0243(8) Uani 1 1 d . . .
H51 H -0.0023 -0.3207 0.1971 0.029 Uiso 1 1 calc R . .
C45 C 0.12373(17) 0.0366(3) 0.44882(16) 0.0197(7) Uani 1 1 d . . .
C37 C -0.2165(2) -0.0230(4) 0.20261(17) 0.0282(9) Uani 1 1 d . . .
H37 H -0.2488 0.0247 0.1787 0.034 Uiso 1 1 calc R . .
C53 C 0.12966(19) -0.2247(4) 0.27999(16) 0.0240(8) Uani 1 1 d . . .
H53 H 0.1755 -0.2008 0.2918 0.029 Uiso 1 1 calc R . .
C5 C 0.35253(19) -0.4563(3) 0.44052(16) 0.0224(8) Uani 1 1 d . . .
H5 H 0.3706 -0.5219 0.4613 0.027 Uiso 1 1 calc R . .
C47 C 0.09098(19) 0.0260(3) 0.54824(17) 0.0239(8) Uani 1 1 d . . .
H47 H 0.1049 0.1013 0.5576 0.029 Uiso 1 1 calc R . .
C9 C 0.55738(19) -0.5611(3) 0.41377(16) 0.0232(8) Uani 1 1 d . . .
H9 H 0.5824 -0.6234 0.4326 0.028 Uiso 1 1 calc R . .
C49 C 0.04337(19) -0.1510(4) 0.57265(16) 0.0240(8) Uani 1 1 d . . .
H49 H 0.0245 -0.1956 0.5982 0.029 Uiso 1 1 calc R . .
C56 C 0.09041(19) -0.4468(3) 0.44449(16) 0.0216(8) Uani 1 1 d . . .
H56 H 0.1324 -0.4419 0.4721 0.026 Uiso 1 1 calc R . .
C2 C 0.29971(18) -0.2620(3) 0.37814(16) 0.0192(7) Uani 1 1 d . . .
H2 H 0.2813 -0.1968 0.3572 0.023 Uiso 1 1 calc R . .
C4 C 0.29007(19) -0.4117(4) 0.44709(16) 0.0241(8) Uani 1 1 d . . .
H4 H 0.2661 -0.4473 0.4722 0.029 Uiso 1 1 calc R . .
C31 C -0.2086(2) -0.3627(3) 0.42680(17) 0.0234(8) Uani 1 1 d . . .
H31 H -0.2119 -0.4058 0.4598 0.028 Uiso 1 1 calc R . .
C43 C 0.1693(2) 0.2012(3) 0.4073(2) 0.0326(10) Uani 1 1 d . . .
H43 H 0.1860 0.2761 0.4108 0.039 Uiso 1 1 calc R . .
C10 C 0.58394(19) -0.4947(3) 0.37521(17) 0.0226(8) Uani 1 1 d . . .
H10 H 0.6268 -0.5120 0.3675 0.027 Uiso 1 1 calc R . .
C54 C -0.0058(2) -0.5115(3) 0.38772(17) 0.0233(8) Uani 1 1 d . . .
H54 H -0.0418 -0.5593 0.3692 0.028 Uiso 1 1 calc R . .
C13 C 0.63242(19) -0.0297(3) 0.40744(16) 0.0216(8) Uani 1 1 d . . .
H13 H 0.6345 -0.0697 0.3732 0.026 Uiso 1 1 calc R . .
C46 C 0.09927(18) -0.0230(3) 0.49548(16) 0.0185(7) Uani 1 1 d . . .
C3 C 0.26339(18) -0.3138(3) 0.41619(16) 0.0211(8) Uani 1 1 d . . .
H3 H 0.2217 -0.2829 0.4207 0.025 Uiso 1 1 calc R . .
C42 C 0.1652(2) 0.1407(4) 0.35517(19) 0.0310(9) Uani 1 1 d . . .
H42 H 0.1791 0.1751 0.3237 0.037 Uiso 1 1 calc R . .
C55 C 0.0517(2) -0.5465(3) 0.43068(17) 0.0249(8) Uani 1 1 d . . .
H55 H 0.0618 -0.6196 0.4464 0.030 Uiso 1 1 calc R . .
C17 C 0.56945(17) 0.0807(3) 0.46233(15) 0.0161(7) Uani 1 1 d . . .
C52 C 0.0987(2) -0.2636(4) 0.22387(17) 0.0268(9) Uani 1 1 d . . .
H52 H 0.1182 -0.2701 0.1912 0.032 Uiso 1 1 calc R . .
C33 C -0.25965(19) -0.2340(3) 0.34876(17) 0.0213(8) Uani 1 1 d . . .
H33 H -0.2973 -0.1914 0.3286 0.026 Uiso 1 1 calc R . .
C21 C 0.3714(2) 0.2189(3) 0.45522(18) 0.0253(8) Uani 1 1 d . . .
H21 H 0.3271 0.2483 0.4521 0.030 Uiso 1 1 calc R . .
C34 C -0.19770(18) -0.2322(3) 0.33003(15) 0.0161(7) Uani 1 1 d . . .
C6 C 0.38817(17) -0.4031(3) 0.40295(15) 0.0165(7) Uani 1 1 d . . .
C25 C 0.33655(18) 0.0704(3) 0.26411(15) 0.0195(7) Uani 1 1 d . . .
H25 H 0.3410 0.1496 0.2613 0.023 Uiso 1 1 calc R . .
C22 C 0.38652(19) 0.1565(3) 0.40901(17) 0.0236(8) Uani 1 1 d . . .
H22 H 0.3520 0.1443 0.3750 0.028 Uiso 1 1 calc R . .
C48 C 0.06188(19) -0.0383(4) 0.58659(16) 0.0252(8) Uani 1 1 d . . .
H48 H 0.0549 -0.0058 0.6214 0.030 Uiso 1 1 calc R . .
C20 C 0.4218(2) 0.2374(3) 0.50584(17) 0.0242(8) Uani 1 1 d . . .
H20 H 0.4117 0.2789 0.5370 0.029 Uiso 1 1 calc R . .
C36 C -0.2355(2) -0.0902(3) 0.24538(17) 0.0244(8) Uani 1 1 d . . .
H36 H -0.2806 -0.0878 0.2506 0.029 Uiso 1 1 calc R . .
C44 C 0.14831(19) 0.1497(3) 0.45404(19) 0.0268(8) Uani 1 1 d . . .
H44 H 0.1506 0.1903 0.4889 0.032 Uiso 1 1 calc R . .
C8 C 0.49333(18) -0.5349(3) 0.42436(15) 0.0193(7) Uani 1 1 d . . .
H8 H 0.4751 -0.5794 0.4504 0.023 Uiso 1 1 calc R . .
C39 C -0.10347(19) -0.1011(3) 0.23041(16) 0.0210(7) Uani 1 1 d . . .
H39 H -0.0585 -0.1053 0.2250 0.025 Uiso 1 1 calc R . .
C11 C 0.54600(18) -0.4017(3) 0.34808(16) 0.0205(7) Uani 1 1 d . . .
H11 H 0.5643 -0.3563 0.3224 0.025 Uiso 1 1 calc R . .
C57 C 0.2691(3) -0.2897(4) 0.1122(2) 0.0447(12) Uani 1 1 d . . .
H57 H 0.2700 -0.3268 0.0745 0.054 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_number_in_cell
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
'H ' 180 'Hydrogen ' 0.0000 0.0000 ' Int. Tab. C, 4.2.6.8, 6.1.1.4'
'C ' 228 'Carbon ' 0.0020 0.0020 ' Int. Tab. C, 4.2.6.8, 6.1.1.4'
'N ' 48 'Nitrogen ' 0.0040 0.0030 ' Int. Tab. C, 4.2.6.8, 6.1.1.4'
'Cl ' 12 'Chlorine ' 0.1320 0.1590 ' Int. Tab. C, 4.2.6.8, 6.1.1.4'
'Pd ' 16 'Palladium ' -1.1770 1.0070 ' Int. Tab. C, 4.2.6.8, 6.1.1.4'
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?
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
C1 Pd1 N1 81.54(12) . . ?
C1 Pd1 N3 95.18(13) . . ?
N1 Pd1 N3 176.57(12) . . ?
C1 Pd1 N5 176.13(12) . . ?
N1 Pd1 N5 95.27(11) . . ?
N3 Pd1 N5 87.97(11) . . ?
C1 Pd1 Pd2 117.12(9) . . ?
N1 Pd1 Pd2 118.16(8) . . ?
N3 Pd1 Pd2 62.44(8) . . ?
N5 Pd1 Pd2 62.45(8) . . ?
C60 Pd2 N60 81.26(13) . . ?
C60 Pd2 N6 94.86(12) . . ?
N60 Pd2 N6 175.64(12) . . ?
C60 Pd2 N4 173.24(12) . . ?
N60 Pd2 N4 95.78(12) . . ?
N6 Pd2 N4 88.29(11) . . ?
C60 Pd2 Pd1 113.74(9) . . ?
N60 Pd2 Pd1 120.48(9) . . ?
N6 Pd2 Pd1 62.88(8) . . ?
N4 Pd2 Pd1 62.53(8) . . ?
C29 Pd3 N11 95.05(13) . . ?
C29 Pd3 N7 81.91(13) . . ?
N11 Pd3 N7 176.57(12) . . ?
C29 Pd3 N9 177.70(13) . . ?
N11 Pd3 N9 87.25(12) . . ?
N7 Pd3 N9 95.80(12) . . ?
C29 Pd3 Pd4 119.98(10) . . ?
N11 Pd3 Pd4 64.75(8) . . ?
N7 Pd3 Pd4 115.41(8) . . ?
N9 Pd3 Pd4 61.15(8) . . ?
C61 Pd4 N61 81.77(14) . . ?
C61 Pd4 N10 95.56(13) . . ?
N61 Pd4 N10 173.67(12) . . ?
C61 Pd4 N12 175.15(13) . . ?
N61 Pd4 N12 94.91(12) . . ?
N10 Pd4 N12 88.10(12) . . ?
C61 Pd4 Pd3 124.06(10) . . ?
N61 Pd4 Pd3 112.80(8) . . ?
N10 Pd4 Pd3 63.98(8) . . ?
N12 Pd4 Pd3 60.49(8) . . ?
C25 N4 N3 107.6(3) . . ?
C25 N4 Pd2 136.7(2) . . ?
N3 N4 Pd2 115.7(2) . . ?
C39 N7 C35 119.1(3) . . ?
C39 N7 Pd3 126.0(2) . . ?
C35 N7 Pd3 114.8(2) . . ?
C11 N1 C7 119.2(3) . . ?
C11 N1 Pd1 125.8(2) . . ?
C7 N1 Pd1 115.0(2) . . ?
C2 C1 C6 117.8(3) . . ?
C2 C1 Pd1 128.1(3) . . ?
C6 C1 Pd1 114.1(2) . . ?
C23 N3 N4 108.3(3) . . ?
C23 N3 Pd1 132.3(2) . . ?
N4 N3 Pd1 118.8(2) . . ?
C30 C29 C34 117.9(3) . . ?
C30 C29 Pd3 128.6(3) . . ?
C34 C29 Pd3 113.5(2) . . ?
C54 N11 N12 108.6(3) . . ?
C54 N11 Pd3 135.5(3) . . ?
N12 N11 Pd3 116.0(2) . . ?
C53 N10 N9 107.6(3) . . ?
C53 N10 Pd4 136.2(3) . . ?
N9 N10 Pd4 116.1(2) . . ?
C18 N60 C22 118.4(3) . . ?
C18 N60 Pd2 114.8(2) . . ?
C22 N60 Pd2 126.8(3) . . ?
C28 N6 N5 108.1(3) . . ?
C28 N6 Pd2 133.7(3) . . ?
N5 N6 Pd2 117.9(2) . . ?
C51 N9 N10 108.1(3) . . ?
C51 N9 Pd3 133.2(3) . . ?
N10 N9 Pd3 118.7(2) . . ?
C13 C60 C17 118.7(3) . . ?
C13 C60 Pd2 126.4(3) . . ?
C17 C60 Pd2 114.7(2) . . ?
N5 C26 C27 110.1(3) . . ?
C26 N5 N6 107.8(3) . . ?
C26 N5 Pd1 135.9(2) . . ?
N6 N5 Pd1 116.3(2) . . ?
C50 N61 C46 119.3(3) . . ?
C50 N61 Pd4 125.2(3) . . ?
C46 N61 Pd4 115.0(2) . . ?
C23 C24 C25 104.6(3) . . ?
C17 C16 C15 119.9(3) . . ?
C56 N12 N11 107.3(3) . . ?
C56 N12 Pd4 133.7(2) . . ?
N11 N12 Pd4 118.6(2) . . ?
N1 C7 C8 120.3(3) . . ?
N1 C7 C6 113.9(3) . . ?
C8 C7 C6 125.8(3) . . ?
C31 C30 C29 120.9(3) . . ?
C26 C27 C28 104.3(3) . . ?
C41 C61 C45 117.6(3) . . ?
C41 C61 Pd4 128.9(3) . . ?
C45 C61 Pd4 113.5(3) . . ?
C15 C14 C13 119.8(4) . . ?
C37 C38 C39 118.5(4) . . ?
C33 C32 C31 119.3(3) . . ?
C14 C15 C16 119.0(3) . . ?
N7 C35 C36 120.5(3) . . ?
N7 C35 C34 113.7(3) . . ?
C36 C35 C34 125.9(3) . . ?
N6 C28 C27 109.8(3) . . ?
C42 C41 C61 121.7(4) . . ?
N61 C50 C49 122.2(4) . . ?
N60 C18 C19 121.2(3) . . ?
N60 C18 C17 114.3(3) . . ?
C19 C18 C17 124.5(3) . . ?
N3 C23 C24 109.6(3) . . ?
C20 C19 C18 119.4(3) . . ?
N9 C51 C52 109.9(3) . . ?
C44 C45 C61 120.9(4) . . ?
C44 C45 C46 123.5(4) . . ?
C61 C45 C46 115.7(3) . . ?
C38 C37 C36 119.8(4) . . ?
N10 C53 C52 110.7(3) . . ?
C6 C5 C4 120.0(4) . . ?
C48 C47 C46 119.6(4) . . ?
C10 C9 C8 119.7(3) . . ?
C48 C49 C50 119.2(4) . . ?
N12 C56 C55 110.3(3) . . ?
C1 C2 C3 121.8(3) . . ?
C5 C4 C3 119.8(3) . . ?
C30 C31 C32 120.8(3) . . ?
C44 C43 C42 119.7(4) . . ?
C9 C10 C11 119.1(3) . . ?
N11 C54 C55 109.9(3) . . ?
C60 C13 C14 121.4(3) . . ?
N61 C46 C47 120.3(3) . . ?
N61 C46 C45 113.9(3) . . ?
C47 C46 C45 125.7(3) . . ?
C4 C3 C2 119.4(3) . . ?
C43 C42 C41 120.1(4) . . ?
C54 C55 C56 103.9(3) . . ?
C60 C17 C16 121.1(3) . . ?
C60 C17 C18 114.9(3) . . ?
C16 C17 C18 124.0(3) . . ?
C53 C52 C51 103.8(3) . . ?
C32 C33 C34 120.2(3) . . ?
C20 C21 C22 119.9(4) . . ?
C29 C34 C33 120.9(3) . . ?
C29 C34 C35 115.7(3) . . ?
C33 C34 C35 123.4(3) . . ?
C5 C6 C1 121.2(3) . . ?
C5 C6 C7 123.2(3) . . ?
C1 C6 C7 115.5(3) . . ?
N4 C25 C24 109.8(3) . . ?
C21 C22 N60 121.4(4) . . ?
C49 C48 C47 119.3(3) . . ?
C21 C20 C19 119.7(3) . . ?
C37 C36 C35 119.5(4) . . ?
C43 C44 C45 120.0(4) . . ?
C9 C8 C7 119.7(3) . . ?
N7 C39 C38 122.6(3) . . ?
N1 C11 C10 122.0(3) . . ?
Cl1 C57 Cl3 110.5(3) . . ?
Cl1 C57 Cl2 108.5(3) . . ?
Cl3 C57 Cl2 111.3(3) . . ?
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
Pd1 C1 1.997(3) . ?
Pd1 N1 2.027(3) . ?
Pd1 N3 2.031(3) . ?
Pd1 N5 2.092(3) . ?
Pd1 Pd2 3.2522(4) . ?
Pd2 C60 2.005(3) . ?
Pd2 N60 2.007(3) . ?
Pd2 N6 2.056(3) . ?
Pd2 N4 2.070(3) . ?
Pd3 C29 1.985(3) . ?
Pd3 N11 2.007(3) . ?
Pd3 N7 2.025(3) . ?
Pd3 N9 2.086(3) . ?
Pd3 Pd4 3.2591(4) . ?
Pd4 C61 1.991(4) . ?
Pd4 N61 2.026(3) . ?
Pd4 N10 2.030(3) . ?
Pd4 N12 2.108(3) . ?
Cl1 C57 1.759(5) . ?
Cl2 C57 1.763(6) . ?
Cl3 C57 1.766(5) . ?
N4 C25 1.342(4) . ?
N4 N3 1.363(4) . ?
N7 C39 1.342(5) . ?
N7 C35 1.366(4) . ?
N1 C11 1.349(4) . ?
N1 C7 1.374(4) . ?
C1 C2 1.378(5) . ?
C1 C6 1.400(5) . ?
N3 C23 1.342(4) . ?
C29 C30 1.393(5) . ?
C29 C34 1.407(5) . ?
N11 C54 1.333(5) . ?
N11 N12 1.366(4) . ?
N10 C53 1.335(5) . ?
N10 N9 1.362(4) . ?
N60 C18 1.379(5) . ?
N60 C22 1.378(5) . ?
N6 C28 1.345(4) . ?
N6 N5 1.352(4) . ?
N9 C51 1.342(5) . ?
C60 C13 1.365(5) . ?
C60 C17 1.377(5) . ?
C26 N5 1.342(4) . ?
C26 C27 1.380(5) . ?
N61 C50 1.345(5) . ?
N61 C46 1.370(5) . ?
C24 C23 1.379(5) . ?
C24 C25 1.387(5) . ?
C16 C17 1.394(5) . ?
C16 C15 1.389(5) . ?
N12 C56 1.344(5) . ?
C7 C8 1.392(5) . ?
C7 C6 1.468(5) . ?
C30 C31 1.383(5) . ?
C27 C28 1.380(5) . ?
C61 C41 1.387(5) . ?
C61 C45 1.412(5) . ?
C14 C15 1.386(5) . ?
C14 C13 1.397(5) . ?
C38 C37 1.376(6) . ?
C38 C39 1.381(5) . ?
C32 C33 1.379(5) . ?
C32 C31 1.391(5) . ?
C35 C36 1.389(5) . ?
C35 C34 1.471(5) . ?
C41 C42 1.392(6) . ?
C50 C49 1.380(5) . ?
C18 C19 1.395(5) . ?
C18 C17 1.465(5) . ?
C19 C20 1.389(5) . ?
C51 C52 1.388(5) . ?
C45 C44 1.399(5) . ?
C45 C46 1.460(5) . ?
C37 C36 1.383(6) . ?
C53 C52 1.384(5) . ?
C5 C6 1.388(5) . ?
C5 C4 1.384(5) . ?
C47 C48 1.386(6) . ?
C47 C46 1.394(5) . ?
C9 C10 1.376(5) . ?
C9 C8 1.383(5) . ?
C49 C48 1.381(6) . ?
C56 C55 1.389(5) . ?
C2 C3 1.398(5) . ?
C4 C3 1.386(5) . ?
C43 C44 1.384(6) . ?
C43 C42 1.386(6) . ?
C10 C11 1.386(5) . ?
C54 C55 1.394(5) . ?
C33 C34 1.395(5) . ?
C21 C20 1.376(6) . ?
C21 C22 1.384(5) . ?
