#------------------------------------------------------------------------------
#$Date: 2019-11-25 02:02:09 +0200 (Mon, 25 Nov 2019) $
#$Revision: 239921 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/35/05/4350526.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_4350526
loop_
_publ_author_name
'Deeken, Stefan'
'Motz, Günter'
'Bezugly, Viktor'
'Borrmann, Horst'
'Wagner, Frank R.'
'Kempe, Rhett'
_publ_section_title
;
 Metal-metal bonding in sterically frustrated dipalladium species.
;
_journal_issue                   23
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9160
_journal_page_last               9162
_journal_paper_doi               10.1021/ic0610987
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C56.25 H77 N6 Pd2'
_chemical_formula_weight         1050.04
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.000
_cell_angle_beta                 92.297(5)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   13.1670(10)
_cell_length_b                   26.307(2)
_cell_length_c                   15.5220(10)
_cell_measurement_reflns_used    all
_cell_measurement_temperature    193(2)
_cell_volume                     5372.3(7)
_computing_data_collection       STOE-X-AREA
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device_type  STOE-IPDSII
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0233
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            10044
_diffrn_reflns_theta_full        25.89
_diffrn_reflns_theta_max         25.89
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    0.710
_exptl_absorpt_correction_T_max  0.78
_exptl_absorpt_correction_T_min  0.63
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.298
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2194
_exptl_crystal_size_max          0.81
_exptl_crystal_size_mid          0.78
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.560
_refine_diff_density_min         -1.073
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     575
_refine_ls_number_reflns         10044
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0571
_refine_ls_R_factor_gt           0.0413
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0906P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1262
_refine_ls_wR_factor_ref         0.1338
_reflns_number_gt                7133
_reflns_number_total             10044
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0610987si20060927_105930.cif
_cod_data_source_block           k067
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               4350526
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
C1 C 0.8914(3) 0.07520(15) 0.3487(3) 0.0514(9) Uani 1 1 d .
C2 C 0.8748(3) 0.02638(16) 0.3808(3) 0.0568(10) Uani 1 1 d .
C3 C 0.8159(4) 0.0220(2) 0.4528(3) 0.0671(12) Uani 1 1 d .
H3 H 0.8023 -0.0108 0.4749 0.081 Uiso 1 1 calc R
C4 C 0.7774(4) 0.0633(2) 0.4925(3) 0.0815(15) Uani 1 1 d .
H4 H 0.7376 0.0590 0.5418 0.098 Uiso 1 1 calc R
C5 C 0.7961(4) 0.1122(2) 0.4609(3) 0.0767(14) Uani 1 1 d .
H5 H 0.7689 0.1410 0.4888 0.092 Uiso 1 1 calc R
C6 C 0.8544(3) 0.11870(17) 0.3890(3) 0.0582(10) Uani 1 1 d .
C7 C 0.8753(4) 0.17161(17) 0.3556(4) 0.0729(13) Uani 1 1 d .
H7 H 0.9296 0.1682 0.3128 0.087 Uiso 1 1 calc R
C8 C 0.7848(4) 0.1951(2) 0.3088(4) 0.0901(17) Uani 1 1 d .
H8A H 0.7592 0.1719 0.2635 0.135 Uiso 1 1 calc R
H8B H 0.8049 0.2273 0.2827 0.135 Uiso 1 1 calc R
H8C H 0.7313 0.2014 0.3495 0.135 Uiso 1 1 calc R
C9 C 0.9158(7) 0.2063(3) 0.4248(6) 0.156(4) Uani 1 1 d .
H9A H 0.9288 0.2398 0.4002 0.234 Uiso 1 1 calc R
H9B H 0.9792 0.1923 0.4501 0.234 Uiso 1 1 calc R
H9C H 0.8658 0.2094 0.4697 0.234 Uiso 1 1 calc R
C10 C 0.9188(4) -0.01986(17) 0.3381(3) 0.0730(13) Uani 1 1 d .
H10 H 0.9776 -0.0073 0.3052 0.088 Uiso 1 1 calc R
C11 C 0.8478(6) -0.0436(3) 0.2739(4) 0.123(3) Uani 1 1 d .
H11A H 0.8802 -0.0733 0.2486 0.184 Uiso 1 1 calc R
H11B H 0.8300 -0.0190 0.2284 0.184 Uiso 1 1 calc R
H11C H 0.7860 -0.0543 0.3021 0.184 Uiso 1 1 calc R
C12 C 0.9609(7) -0.0586(3) 0.3999(5) 0.139(3) Uani 1 1 d .
H12A H 1.0072 -0.0421 0.4423 0.208 Uiso 1 1 calc R
H12B H 0.9982 -0.0844 0.3684 0.208 Uiso 1 1 calc R
H12C H 0.9052 -0.0748 0.4296 0.208 Uiso 1 1 calc R
C13 C 0.7968(3) 0.07983(14) -0.0193(3) 0.0507(9) Uani 1 1 d .
C14 C 0.7372(4) 0.07443(17) -0.0952(3) 0.0595(10) Uani 1 1 d .
H14 H 0.6686 0.0858 -0.0964 0.071 Uiso 1 1 calc R
C15 C 0.7748(4) 0.05315(19) -0.1681(3) 0.0671(12) Uani 1 1 d .
C16 C 0.8756(4) 0.03654(18) -0.1648(3) 0.0659(12) Uani 1 1 d .
H16 H 0.9034 0.0202 -0.2131 0.079 Uiso 1 1 calc R
C17 C 0.9334(3) 0.04413(15) -0.0916(3) 0.0566(10) Uani 1 1 d .
H17 H 1.0022 0.0332 -0.0905 0.068 Uiso 1 1 calc R
C18 C 0.7096(4) 0.0472(3) -0.2500(3) 0.0928(18) Uani 1 1 d .
H18A H 0.7499 0.0316 -0.2947 0.139 Uiso 1 1 calc R
H18B H 0.6856 0.0806 -0.2696 0.139 Uiso 1 1 calc R
H18C H 0.6512 0.0255 -0.2387 0.139 Uiso 1 1 calc R
C19 C 0.6668(3) 0.12158(15) 0.0582(3) 0.0492(9) Uani 1 1 d .
C20 C 0.6544(3) 0.17022(16) 0.0235(3) 0.0557(10) Uani 1 1 d .
C21 C 0.5615(4) 0.19471(18) 0.0310(3) 0.0683(12) Uani 1 1 d .
H21 H 0.5519 0.2276 0.0069 0.082 Uiso 1 1 calc R
C22 C 0.4834(4) 0.1720(2) 0.0727(3) 0.0714(13) Uani 1 1 d .
H22 H 0.4205 0.1894 0.0772 0.086 Uiso 1 1 calc R
C23 C 0.4957(3) 0.12456(18) 0.1079(3) 0.0622(11) Uani 1 1 d .
H23 H 0.4414 0.1093 0.1370 0.075 Uiso 1 1 calc R
C24 C 0.5872(3) 0.09841(16) 0.1014(3) 0.0536(9) Uani 1 1 d .
C25 C 0.6027(3) 0.04788(16) 0.1470(3) 0.0579(10) Uani 1 1 d .
H25 H 0.6602 0.0299 0.1199 0.069 Uiso 1 1 calc R
C26 C 0.6330(4) 0.0575(2) 0.2418(3) 0.0783(14) Uani 1 1 d .
H26A H 0.6437 0.0249 0.2714 0.117 Uiso 1 1 calc R
H26B H 0.5787 0.0763 0.2691 0.117 Uiso 1 1 calc R
H26C H 0.6960 0.0774 0.2456 0.117 Uiso 1 1 calc R
C27 C 0.5088(4) 0.0133(2) 0.1395(4) 0.0860(16) Uani 1 1 d .
H27A H 0.5231 -0.0187 0.1700 0.129 Uiso 1 1 calc R
H27B H 0.4921 0.0062 0.0786 0.129 Uiso 1 1 calc R
H27C H 0.4511 0.0303 0.1653 0.129 Uiso 1 1 calc R
C28 C 1.0396(3) 0.09231(14) 0.2700(3) 0.0526(9) Uani 1 1 d .
C29 C 1.1017(3) 0.09815(16) 0.3460(3) 0.0576(10) Uani 1 1 d .
H29 H 1.0731 0.0913 0.4000 0.069 Uiso 1 1 calc R
C30 C 1.2009(3) 0.11315(18) 0.3451(3) 0.0653(12) Uani 1 1 d .
C31 C 1.2417(4) 0.1220(2) 0.2634(3) 0.0711(13) Uani 1 1 d .
H31 H 1.3101 0.1328 0.2588 0.085 Uiso 1 1 calc R
C32 C 1.1806(3) 0.11476(18) 0.1918(3) 0.0657(12) Uani 1 1 d .
H32 H 1.2091 0.1207 0.1374 0.079 Uiso 1 1 calc R
C33 C 1.2656(4) 0.1203(2) 0.4256(4) 0.0881(17) Uani 1 1 d .
H33A H 1.3337 0.1312 0.4104 0.132 Uiso 1 1 calc R
H33B H 1.2702 0.0881 0.4573 0.132 Uiso 1 1 calc R
H33C H 1.2351 0.1463 0.4617 0.132 Uiso 1 1 calc R
C34 C 0.7401(4) 0.19896(18) -0.0174(3) 0.0688(12) Uani 1 1 d .
H34 H 0.7926 0.1735 -0.0330 0.083 Uiso 1 1 calc R
C35 C 0.7078(5) 0.2272(3) -0.0989(4) 0.109(2) Uani 1 1 d .
H35A H 0.7668 0.2445 -0.1220 0.163 Uiso 1 1 calc R
H35B H 0.6558 0.2523 -0.0858 0.163 Uiso 1 1 calc R
H35C H 0.6800 0.2030 -0.1417 0.163 Uiso 1 1 calc R
C36 C 0.7890(5) 0.2346(3) 0.0482(5) 0.119(3) Uani 1 1 d .
H36A H 0.8448 0.2530 0.0221 0.179 Uiso 1 1 calc R
H36B H 0.8157 0.2151 0.0978 0.179 Uiso 1 1 calc R
H36C H 0.7383 0.2590 0.0673 0.179 Uiso 1 1 calc R
C37 C 1.1318(3) 0.13892(14) -0.0450(3) 0.0523(9) Uani 1 1 d .
C38 C 1.2176(3) 0.15224(16) -0.0885(3) 0.0571(10) Uani 1 1 d .
H38 H 1.2201 0.1842 -0.1169 0.069 Uiso 1 1 calc R
C39 C 1.2989(3) 0.11983(16) -0.0910(3) 0.0573(10) Uani 1 1 d .
C40 C 1.2912(3) 0.07293(16) -0.0481(3) 0.0597(11) Uani 1 1 d .
H40 H 1.3454 0.0491 -0.0484 0.072 Uiso 1 1 calc R
C41 C 1.2047(3) 0.06222(16) -0.0063(3) 0.0567(10) Uani 1 1 d .
H41 H 1.2001 0.0302 0.0216 0.068 Uiso 1 1 calc R
C42 C 1.3920(4) 0.13292(19) -0.1392(4) 0.0797(15) Uani 1 1 d .
H42A H 1.3841 0.1669 -0.1647 0.120 Uiso 1 1 calc R
H42B H 1.4010 0.1079 -0.1851 0.120 Uiso 1 1 calc R
H42C H 1.4517 0.1325 -0.0995 0.120 Uiso 1 1 calc R
C43 C 1.0449(3) 0.22206(16) -0.0666(3) 0.0601(11) Uani 1 1 d .
C44 C 1.0238(3) 0.23288(16) -0.1544(3) 0.0635(12) Uani 1 1 d .
C45 C 1.0132(4) 0.28370(19) -0.1774(4) 0.0758(14) Uani 1 1 d .
H45 H 0.9991 0.2924 -0.2360 0.091 Uiso 1 1 calc R
C46 C 1.0230(4) 0.32126(19) -0.1170(4) 0.0832(17) Uani 1 1 d .
H46 H 1.0150 0.3558 -0.1340 0.100 Uiso 1 1 calc R
C47 C 1.0440(4) 0.30974(19) -0.0320(4) 0.0809(15) Uani 1 1 d .
H47 H 1.0509 0.3365 0.0089 0.097 Uiso 1 1 calc R
C48 C 1.0557(4) 0.25952(18) -0.0043(4) 0.0693(12) Uani 1 1 d .
C49 C 1.0826(5) 0.2463(2) 0.0901(4) 0.0884(16) Uani 1 1 d .
H49 H 1.0576 0.2111 0.1011 0.106 Uiso 1 1 calc R
C50 C 1.1945(6) 0.2467(3) 0.1072(5) 0.123(3) Uani 1 1 d .
H50A H 1.2098 0.2377 0.1676 0.185 Uiso 1 1 calc R
H50B H 1.2212 0.2807 0.0957 0.185 Uiso 1 1 calc R
H50C H 1.2263 0.2219 0.0696 0.185 Uiso 1 1 calc R
C51 C 1.0342(8) 0.2824(5) 0.1564(5) 0.175(4) Uani 1 1 d .
H51A H 0.9603 0.2827 0.1466 0.263 Uiso 1 1 calc R
H51B H 1.0609 0.3169 0.1493 0.263 Uiso 1 1 calc R
H51C H 1.0511 0.2704 0.2150 0.263 Uiso 1 1 calc R
C52 C 1.0135(4) 0.19148(19) -0.2228(3) 0.0731(13) Uani 1 1 d .
H52 H 1.0353 0.1588 -0.1947 0.088 Uiso 1 1 calc R
C53 C 0.9054(5) 0.1848(3) -0.2542(5) 0.125(3) Uani 1 1 d .
H53A H 0.9015 0.1578 -0.2977 0.188 Uiso 1 1 calc R
H53B H 0.8802 0.2166 -0.2798 0.188 Uiso 1 1 calc R
H53C H 0.8638 0.1755 -0.2057 0.188 Uiso 1 1 calc R
C54 C 1.0843(7) 0.2008(3) -0.2969(4) 0.122(3) Uani 1 1 d .
H54A H 1.0760 0.1734 -0.3394 0.183 Uiso 1 1 calc R
H54B H 1.1548 0.2016 -0.2744 0.183 Uiso 1 1 calc R
H54C H 1.0673 0.2334 -0.3244 0.183 Uiso 1 1 calc R
C100 C 0.4305(12) 0.0797(6) 0.6223(10) 0.187(7) Uiso 0.75 1 d P
H10A H 0.4527 0.1147 0.6124 0.280 Uiso 1 1 calc R
H10B H 0.4428 0.0709 0.6832 0.280 Uiso 1 1 calc R
H10C H 0.3577 0.0767 0.6074 0.280 Uiso 1 1 calc R
C200 C 0.4820(12) 0.0483(7) 0.5739(10) 0.182(6) Uiso 0.75 1 d P
H20A H 0.4947 0.0713 0.5250 0.218 Uiso 1 1 calc R
H20B H 0.5474 0.0479 0.6076 0.218 Uiso 1 1 calc R
C300 C 0.4886(19) 0.0073(9) 0.5368(10) 0.234(9) Uiso 0.75 1 d P
H30A H 0.4208 -0.0082 0.5439 0.280 Uiso 1 1 calc R
H30B H 0.5355 -0.0123 0.5755 0.280 Uiso 1 1 calc R
N1 N 1.0496(3) 0.17003(14) -0.0404(3) 0.0637(11) Uani 1 1 d .
N2 N 1.1256(3) 0.09427(12) -0.0023(2) 0.0527(8) Uani 1 1 d .
N3 N 0.9416(3) 0.08054(13) 0.2697(2) 0.0527(8) Uani 1 1 d .
N4 N 1.0824(3) 0.09969(13) 0.1920(2) 0.0519(8) Uani 1 1 d .
N5 N 0.7631(2) 0.09634(12) 0.0559(2) 0.0486(7) Uani 1 1 d .
N6 N 0.8984(2) 0.06633(12) -0.0202(2) 0.0483(7) Uani 1 1 d .
Pd1 Pd 0.84740(2) 0.087692(11) 0.166087(19) 0.04617(10) Uani 1 1 d .
Pd2 Pd 0.99753(2) 0.083910(10) 0.080384(19) 0.04608(10) Uani 1 1 d .
H100 H 1.014(3) 0.1601(15) -0.010(3) 0.042(12) Uiso 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Pd Pd -0.9988 1.0072 '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_3
C2 C1 C6 122.0(4) .
C2 C1 N3 118.8(4) .
C6 C1 N3 119.0(4) .
C3 C2 C1 117.5(4) .
C3 C2 C10 121.5(4) .
C1 C2 C10 121.0(4) .
C4 C3 C2 122.0(5) .
C3 C4 C5 120.0(5) .
C6 C5 C4 120.3(5) .
C5 C6 C1 118.0(4) .
C5 C6 C7 120.1(4) .
C1 C6 C7 121.8(4) .
C9 C7 C8 110.5(5) .
C9 C7 C6 112.4(5) .
C8 C7 C6 113.1(4) .
C11 C10 C12 110.7(5) .
C11 C10 C2 113.1(5) .
C12 C10 C2 114.0(5) .
N5 C13 N6 116.5(4) .
N5 C13 C14 125.1(4) .
N6 C13 C14 118.4(4) .
C15 C14 C13 121.9(4) .
C14 C15 C16 118.1(4) .
C14 C15 C18 121.6(5) .
C16 C15 C18 120.3(4) .
C17 C16 C15 119.0(4) .
N6 C17 C16 123.6(4) .
C20 C19 C24 120.2(4) .
C20 C19 N5 120.4(3) .
C24 C19 N5 119.2(4) .
C21 C20 C19 118.8(4) .
C21 C20 C34 118.4(4) .
C19 C20 C34 122.7(4) .
C22 C21 C20 121.1(4) .
C23 C22 C21 120.3(4) .
C22 C23 C24 120.7(4) .
C23 C24 C19 118.9(4) .
C23 C24 C25 119.9(4) .
C19 C24 C25 121.0(4) .
C24 C25 C26 109.2(4) .
C24 C25 C27 113.1(4) .
C26 C25 C27 110.4(4) .
N3 C28 N4 117.7(4) .
N3 C28 C29 123.8(4) .
N4 C28 C29 118.5(4) .
C30 C29 C28 122.9(4) .
C29 C30 C31 117.1(4) .
C29 C30 C33 122.7(4) .
C31 C30 C33 120.2(4) .
C32 C31 C30 118.4(4) .
N4 C32 C31 125.0(4) .
C36 C34 C35 110.9(5) .
C36 C34 C20 109.4(4) .
C35 C34 C20 113.9(5) .
N2 C37 N1 115.7(4) .
N2 C37 C38 121.7(4) .
N1 C37 C38 122.6(4) .
C39 C38 C37 120.7(4) .
C38 C39 C40 117.4(4) .
C38 C39 C42 121.7(4) .
C40 C39 C42 120.8(4) .
C41 C40 C39 119.0(4) .
N2 C41 C40 123.8(4) .
C48 C43 C44 122.9(4) .
C48 C43 N1 118.7(4) .
C44 C43 N1 118.3(4) .
C45 C44 C43 117.2(5) .
C45 C44 C52 120.3(5) .
C43 C44 C52 122.6(4) .
C46 C45 C44 121.0(5) .
C45 C46 C47 120.7(5) .
C46 C47 C48 121.4(5) .
C43 C48 C47 116.8(5) .
C43 C48 C49 121.3(4) .
C47 C48 C49 121.8(5) .
C50 C49 C48 111.0(5) .
C50 C49 C51 107.9(6) .
C48 C49 C51 114.1(6) .
C53 C52 C44 111.6(5) .
C53 C52 C54 112.0(6) .
C44 C52 C54 111.7(4) .
C300 C200 C100 150(2) .
C200 C300 C300 136(3) 3_656
C37 N1 C43 126.0(4) .
C41 N2 C37 117.4(3) .
C41 N2 Pd2 124.7(3) .
C37 N2 Pd2 117.4(3) .
C28 N3 C1 120.4(4) .
C28 N3 Pd1 123.5(3) .
C1 N3 Pd1 114.1(3) .
C32 N4 C28 118.1(4) .
C32 N4 Pd2 122.8(3) .
C28 N4 Pd2 119.0(3) .
C13 N5 C19 119.8(3) .
C13 N5 Pd1 120.9(3) .
C19 N5 Pd1 119.3(2) .
C17 N6 C13 118.7(4) .
C17 N6 Pd2 119.7(3) .
C13 N6 Pd2 121.4(3) .
N3 Pd1 N5 175.06(13) .
N3 Pd1 Pd2 86.82(10) .
N5 Pd1 Pd2 88.42(9) .
N6 Pd2 N4 172.67(12) .
N6 Pd2 N2 93.67(13) .
N4 Pd2 N2 93.64(13) .
N6 Pd2 Pd1 85.33(8) .
N4 Pd2 Pd1 87.56(9) .
N2 Pd2 Pd1 169.93(8) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.398(6) .
C1 C6 1.400(6) .
C1 N3 1.423(5) .
C2 C3 1.391(6) .
C2 C10 1.512(6) .
C3 C4 1.356(7) .
C4 C5 1.403(8) .
C5 C6 1.391(6) .
C6 C7 1.514(6) .
C7 C9 1.491(8) .
C7 C8 1.504(7) .
C10 C11 1.477(8) .
C10 C12 1.492(8) .
C13 N5 1.337(5) .
C13 N6 1.385(5) .
C13 C14 1.396(6) .
C14 C15 1.373(6) .
C15 C16 1.397(7) .
C15 C18 1.513(7) .
C16 C17 1.357(6) .
C17 N6 1.350(5) .
C19 C20 1.395(6) .
C19 C24 1.405(6) .
C19 N5 1.433(5) .
C20 C21 1.391(6) .
C20 C34 1.519(6) .
C21 C22 1.373(7) .
C22 C23 1.370(7) .
C23 C24 1.395(6) .
C24 C25 1.516(6) .
C25 C26 1.530(7) .
C25 C27 1.536(6) .
C28 N3 1.326(5) .
C28 N4 1.370(5) .
C28 C29 1.417(6) .
C29 C30 1.364(6) .
C30 C31 1.416(6) .
C30 C33 1.496(7) .
C31 C32 1.359(7) .
C32 N4 1.353(5) .
C34 C36 1.510(8) .
C34 C35 1.513(7) .
C37 N2 1.353(5) .
C37 N1 1.360(5) .
C37 C38 1.384(6) .
C38 C39 1.371(6) .
C39 C40 1.407(6) .
C39 C42 1.502(6) .
C40 C41 1.362(6) .
C41 N2 1.344(5) .
C43 C48 1.385(7) .
C43 C44 1.408(6) .
C43 N1 1.429(5) .
C44 C45 1.389(6) .
C44 C52 1.523(7) .
C45 C46 1.365(8) .
C46 C47 1.371(8) .
C47 C48 1.396(7) .
C48 C49 1.534(8) .
C49 C50 1.486(9) .
C49 C51 1.554(10) .
C52 C53 1.496(8) .
C52 C54 1.529(8) .
C100 C200 1.322(17) .
C200 C300 1.23(2) .
C300 C300 1.25(3) 3_656
N2 Pd2 2.176(3) .
N3 Pd1 2.001(4) .
N4 Pd2 2.065(4) .
N5 Pd1 2.015(3) .
N6 Pd2 2.047(3) .
Pd1 Pd2 2.4286(4) .
