#------------------------------------------------------------------------------
#$Date: 2016-03-21 03:24:52 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178431 $
#$URL: svn://www.crystallography.net/cod/cif/4/02/52/4025259.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_4025259
loop_
_publ_author_name
'Bart M. J. M. Suijkerbuijk'
'Duncan M. Tooke'
'Martin Lutz'
'Anthony L. Spek'
'Leonardus W. Jenneskens'
'Gerard van Koten'
'Robertus J. M. Klein Gebbink'
_publ_contact_author_address
; Bijvoet Center for Biomolecular Research
  Crystal and Structural Chemistry
  Utrecht University
  Padualaan 8
  3584 CH Utrecht
  The Netherlands
;
_publ_contact_author_email       m.lutz@uu.nl
_publ_contact_author_fax         '[+31] 30 2533940'
_publ_contact_author_name        'Martin Lutz'
_publ_contact_author_phone       '[+31] 30 2533902'
_publ_section_title
;
 Synthesis of and Evidence for Electronic Communication within
 Heteromultimetallic Tetrakis(NCN-pincer metal)-(Metallo)porphyrin Hybrids
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              1534
_journal_page_last               1549
_journal_paper_doi               10.1021/jo902402g
_journal_volume                  75
_journal_year                    2010
_chemical_formula_moiety
'C73 H85 Br1.84 Cl2.16 N13 Pd4 Zn, 3(C7 H8), 2(C H CL3)'
_chemical_formula_sum            'C96 H111 Br1.84 Cl8.16 N13 Pd4 Zn'
_chemical_formula_weight         2374.25
_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     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                111.226(3)
_cell_angle_beta                 95.283(3)
_cell_angle_gamma                101.042(3)
_cell_formula_units_Z            2
_cell_length_a                   15.126(3)
_cell_length_b                   19.255(4)
_cell_length_c                   20.943(5)
_cell_measurement_temperature    150(2)
_cell_volume                     5493(2)
_computing_cell_refinement       EvalCCD-Postref
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        'EvalCCD, Sadabs'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF-99 (Beurskens et al., 1999)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_av_sigmaI/netI    0.0341
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            125122
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.59
_exptl_absorpt_coefficient_mu    1.772
_exptl_absorpt_correction_T_max  0.73
_exptl_absorpt_correction_T_min  0.61
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.435
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2390
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.545
_refine_diff_density_min         -1.416
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.141
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1129
_refine_ls_number_reflns         25199
_refine_ls_number_restraints     175
_refine_ls_restrained_S_all      1.223
_refine_ls_R_factor_all          0.0619
_refine_ls_R_factor_gt           0.0408
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0669P)²+2.7741P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1150
_refine_ls_wR_factor_ref         0.1230
_reflns_number_gt                18881
_reflns_number_total             25199
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            jo902402g_si_002_1.cif
_cod_data_source_block           s2960a
_cod_database_code               4025259
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_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 0.67906(2) 0.978253(17) 0.980739(15) 0.02774(8) Uani 1 1 d D . .
Pd2 Pd 1.300667(18) 0.562182(17) 0.922885(14) 0.02218(7) Uani 1 1 d D . .
Pd3 Pd 0.71318(2) -0.018251(16) 0.358173(14) 0.02335(7) Uani 1 1 d D . .
Pd4 Pd 0.096273(18) 0.388694(18) 0.441760(14) 0.02444(7) Uani 1 1 d D . .
Br1 Br 0.6843(6) 1.11945(19) 1.0529(4) 0.0424(4) Uani 0.46 1 d PD . .
Cl1 Cl 0.6784(13) 1.1073(4) 1.0451(9) 0.0424(4) Uani 0.54 1 d PD . .
Br2 Br 1.47278(15) 0.5959(2) 0.9674(3) 0.0327(4) Uani 0.46 1 d PD . .
Cl2 Cl 1.4598(3) 0.6043(5) 0.9672(6) 0.0327(4) Uani 0.54 1 d PD . .
Br3 Br 0.7000(4) -0.1372(2) 0.2481(2) 0.0386(6) Uani 0.46 1 d PD . .
Cl3 Cl 0.7135(9) -0.1260(6) 0.2573(5) 0.0386(6) Uani 0.54 1 d PD . .
Br4 Br -0.06612(14) 0.35755(16) 0.37436(17) 0.0462(5) Uani 0.46 1 d PD . .
Cl4 Cl -0.0527(3) 0.3421(4) 0.3741(4) 0.0462(5) Uani 0.54 1 d PD . .
Zn1 Zn 0.66489(3) 0.44613(2) 0.72150(2) 0.01818(9) Uani 1 1 d . . .
N1 N 0.58990(19) 0.52271(17) 0.71279(14) 0.0194(6) Uani 1 1 d . . .
N2 N 0.75694(19) 0.53830(16) 0.79947(14) 0.0189(6) Uani 1 1 d . . .
N3 N 0.76910(19) 0.38832(17) 0.70623(14) 0.0197(6) Uani 1 1 d . . .
N4 N 0.59778(19) 0.37118(17) 0.62194(14) 0.0205(6) Uani 1 1 d . . .
N5 N 0.5864(2) 0.39600(18) 0.77831(15) 0.0236(6) Uani 1 1 d . . .
N6 N 0.7433(3) 0.9914(2) 0.8998(2) 0.0452(10) Uani 1 1 d . . .
N7 N 0.6177(2) 0.92987(19) 1.04531(16) 0.0321(8) Uani 1 1 d . . .
N8 N 1.3051(2) 0.61473(19) 0.85049(16) 0.0275(7) Uani 1 1 d . . .
N9 N 1.2544(2) 0.5009(2) 0.98390(17) 0.0295(7) Uani 1 1 d . . .
N10 N 0.6419(2) -0.07101(19) 0.41657(18) 0.0338(8) Uani 1 1 d . . .
N11 N 0.7838(2) 0.06405(18) 0.32533(16) 0.0267(7) Uani 1 1 d . . .
N12 N 0.1725(2) 0.39875(19) 0.36551(15) 0.0257(7) Uani 1 1 d . . .
N13 N 0.0588(2) 0.3895(2) 0.53662(17) 0.0295(7) Uani 1 1 d . . .
C1 C 0.5156(2) 0.5073(2) 0.66297(18) 0.0217(7) Uani 1 1 d . . .
C2 C 0.4828(3) 0.5756(2) 0.67508(19) 0.0272(8) Uani 1 1 d . . .
H2 H 0.4327 0.5804 0.6475 0.033 Uiso 1 1 calc R . .
C3 C 0.5363(3) 0.6314(2) 0.73279(19) 0.0264(8) Uani 1 1 d . . .
H3 H 0.5308 0.6828 0.7536 0.032 Uiso 1 1 calc R . .
C4 C 0.6033(2) 0.5983(2) 0.75684(18) 0.0215(7) Uani 1 1 d . . .
C5 C 0.6717(2) 0.6385(2) 0.81549(17) 0.0207(7) Uani 1 1 d . . .
C6 C 0.7429(2) 0.6094(2) 0.83568(17) 0.0217(7) Uani 1 1 d . . .
C7 C 0.8177(3) 0.6536(2) 0.89239(18) 0.0260(8) Uani 1 1 d . . .
H7 H 0.8230 0.7037 0.9261 0.031 Uiso 1 1 calc R . .
C8 C 0.8787(3) 0.6105(2) 0.88857(18) 0.0254(8) Uani 1 1 d . . .
H8 H 0.9354 0.6245 0.9191 0.030 Uiso 1 1 calc R . .
C9 C 0.8420(2) 0.5385(2) 0.82926(17) 0.0222(7) Uani 1 1 d . . .
C10 C 0.8886(2) 0.4817(2) 0.80466(18) 0.0218(7) Uani 1 1 d . . .
C11 C 0.8542(2) 0.4115(2) 0.74671(18) 0.0222(7) Uani 1 1 d . . .
C12 C 0.9054(2) 0.3554(2) 0.71936(19) 0.0263(8) Uani 1 1 d . . .
H12 H 0.9663 0.3579 0.7377 0.032 Uiso 1 1 calc R . .
C13 C 0.8514(3) 0.2984(2) 0.66279(19) 0.0266(8) Uani 1 1 d . . .
H13 H 0.8666 0.2529 0.6341 0.032 Uiso 1 1 calc R . .
C14 C 0.7661(2) 0.3197(2) 0.65400(18) 0.0212(7) Uani 1 1 d . . .
C15 C 0.6935(2) 0.2778(2) 0.59797(17) 0.0218(7) Uani 1 1 d . . .
C16 C 0.6142(2) 0.3016(2) 0.58472(17) 0.0215(7) Uani 1 1 d . . .
C17 C 0.5399(3) 0.2582(2) 0.52695(18) 0.0256(8) Uani 1 1 d . . .
H17 H 0.5348 0.2084 0.4929 0.031 Uiso 1 1 calc R . .
C18 C 0.4794(3) 0.3015(2) 0.53034(18) 0.0275(8) Uani 1 1 d . . .
H18 H 0.4228 0.2874 0.4998 0.033 Uiso 1 1 calc R . .
C19 C 0.5161(2) 0.3735(2) 0.58891(17) 0.0224(7) Uani 1 1 d . . .
C20 C 0.4777(2) 0.4370(2) 0.60732(18) 0.0232(8) Uani 1 1 d . . .
C21 C 0.5730(3) 0.3210(2) 0.7650(2) 0.0354(10) Uani 1 1 d . . .
H21 H 0.6032 0.2912 0.7312 0.043 Uiso 1 1 calc R . .
C22 C 0.5180(3) 0.2854(3) 0.7978(2) 0.0471(12) Uani 1 1 d . . .
H22 H 0.5097 0.2319 0.7867 0.056 Uiso 1 1 calc R . .
C23 C 0.4747(3) 0.3282(3) 0.8474(2) 0.0514(13) Uani 1 1 d . . .
H23 H 0.4359 0.3047 0.8708 0.062 Uiso 1 1 calc R . .
C24 C 0.4886(3) 0.4058(3) 0.8624(2) 0.0409(11) Uani 1 1 d . . .
H24 H 0.4604 0.4370 0.8968 0.049 Uiso 1 1 calc R . .
C25 C 0.5440(3) 0.4366(2) 0.82643(19) 0.0311(9) Uani 1 1 d . . .
H25 H 0.5527 0.4899 0.8363 0.037 Uiso 1 1 calc R . .
C26 C 0.6750(3) 0.8721(2) 0.92835(19) 0.0262(8) Uani 1 1 d . . .
C27 C 0.7242(3) 0.8542(2) 0.8752(2) 0.0376(10) Uani 1 1 d . . .
C28 C 0.7228(3) 0.7780(2) 0.8381(2) 0.0400(11) Uani 1 1 d . . .
H28 H 0.7555 0.7648 0.8006 0.048 Uiso 1 1 calc R . .
C29 C 0.6734(2) 0.7206(2) 0.85582(19) 0.0240(8) Uani 1 1 d . . .
C30 C 0.6260(2) 0.7406(2) 0.91141(18) 0.0237(8) Uani 1 1 d . . .
H30 H 0.5947 0.7022 0.9252 0.028 Uiso 1 1 calc R . .
C31 C 0.6250(3) 0.8168(2) 0.94631(18) 0.0240(8) Uani 1 1 d . . .
C32 C 0.7816(4) 0.9224(3) 0.8664(3) 0.0654(17) Uani 1 1 d . . .
H32A H 0.7801 0.9116 0.8163 0.079 Uiso 1 1 calc R . .
H32B H 0.8459 0.9327 0.8887 0.079 Uiso 1 1 calc R . .
C33 C 0.6732(5) 0.9948(3) 0.8482(3) 0.0672(17) Uani 1 1 d . . .
H33A H 0.6214 0.9501 0.8347 0.101 Uiso 1 1 calc R . .
H33B H 0.6994 0.9946 0.8070 0.101 Uiso 1 1 calc R . .
H33C H 0.6522 1.0419 0.8684 0.101 Uiso 1 1 calc R . .
C34 C 0.8196(4) 1.0617(3) 0.9215(3) 0.0698(18) Uani 1 1 d . . .
H34A H 0.8669 1.0606 0.9561 0.105 Uiso 1 1 calc R . .
H34B H 0.7960 1.1074 0.9417 0.105 Uiso 1 1 calc R . .
H34C H 0.8460 1.0631 0.8808 0.105 Uiso 1 1 calc R . .
C35 C 0.5714(3) 0.8468(2) 1.0029(2) 0.0335(9) Uani 1 1 d . . .
H35A H 0.5697 0.8170 1.0328 0.040 Uiso 1 1 calc R . .
H35B H 0.5078 0.8419 0.9824 0.040 Uiso 1 1 calc R . .
C36 C 0.6951(4) 0.9335(3) 1.0971(2) 0.0491(12) Uani 1 1 d . . .
H36A H 0.7403 0.9093 1.0726 0.074 Uiso 1 1 calc R . .
H36B H 0.6718 0.9064 1.1260 0.074 Uiso 1 1 calc R . .
H36C H 0.7241 0.9873 1.1268 0.074 Uiso 1 1 calc R . .
C37 C 0.5517(3) 0.9682(3) 1.0836(2) 0.0460(12) Uani 1 1 d . . .
H37A H 0.5819 1.0221 1.1120 0.069 Uiso 1 1 calc R . .
H37B H 0.5298 0.9424 1.1138 0.069 Uiso 1 1 calc R . .
H37C H 0.4998 0.9655 1.0504 0.069 Uiso 1 1 calc R . .
C38 C 1.1727(2) 0.5380(2) 0.88907(18) 0.0229(7) Uani 1 1 d . . .
C39 C 1.1416(3) 0.5721(2) 0.8456(2) 0.0283(8) Uani 1 1 d . . .
C40 C 1.0491(3) 0.5523(2) 0.8187(2) 0.0288(8) Uani 1 1 d . . .
H40 H 1.0272 0.5739 0.7880 0.035 Uiso 1 1 calc R . .
C41 C 0.9872(2) 0.5007(2) 0.83625(19) 0.0240(8) Uani 1 1 d . . .
C42 C 1.0191(2) 0.4688(2) 0.88143(19) 0.0269(8) Uani 1 1 d . . .
H42 H 0.9773 0.4351 0.8946 0.032 Uiso 1 1 calc R . .
C43 C 1.1125(2) 0.4867(2) 0.90709(19) 0.0248(8) Uani 1 1 d . . .
C44 C 1.2141(3) 0.6307(3) 0.8368(2) 0.0360(10) Uani 1 1 d . . .
H44A H 1.2023 0.6288 0.7888 0.043 Uiso 1 1 calc R . .
H44B H 1.2136 0.6827 0.8696 0.043 Uiso 1 1 calc R . .
C45 C 1.3780(3) 0.6867(3) 0.8717(3) 0.0482(12) Uani 1 1 d . . .
H45A H 1.3686 0.7247 0.9150 0.072 Uiso 1 1 calc R . .
H45B H 1.3754 0.7069 0.8350 0.072 Uiso 1 1 calc R . .
H45C H 1.4379 0.6758 0.8792 0.072 Uiso 1 1 calc R . .
C46 C 1.3216(4) 0.5586(3) 0.7855(2) 0.0502(13) Uani 1 1 d . . .
H46A H 1.2743 0.5106 0.7705 0.075 Uiso 1 1 calc R . .
H46B H 1.3819 0.5485 0.7937 0.075 Uiso 1 1 calc R . .
H46C H 1.3196 0.5794 0.7492 0.075 Uiso 1 1 calc R . .
C47 C 1.1589(3) 0.4526(3) 0.9511(2) 0.0357(10) Uani 1 1 d . . .
H47A H 1.1613 0.3998 0.9218 0.043 Uiso 1 1 calc R . .
H47B H 1.1233 0.4500 0.9879 0.043 Uiso 1 1 calc R . .
C48 C 1.3131(3) 0.4525(3) 0.9951(2) 0.0381(10) Uani 1 1 d . . .
H48A H 1.3158 0.4133 0.9502 0.057 Uiso 1 1 calc R . .
H48B H 1.2879 0.4275 1.0250 0.057 Uiso 1 1 calc R . .
H48C H 1.3749 0.4843 1.0175 0.057 Uiso 1 1 calc R . .
C49 C 1.2518(3) 0.5609(3) 1.0527(2) 0.0400(11) Uani 1 1 d . . .
H49A H 1.2138 0.5943 1.0458 0.060 Uiso 1 1 calc R . .
H49B H 1.3141 0.5916 1.0750 0.060 Uiso 1 1 calc R . .
H49C H 1.2259 0.5360 1.0825 0.060 Uiso 1 1 calc R . .
C50 C 0.7136(2) 0.0720(2) 0.43668(18) 0.0215(7) Uani 1 1 d . . .
C51 C 0.6585(3) 0.0665(2) 0.48450(19) 0.0268(8) Uani 1 1 d . . .
C52 C 0.6547(3) 0.1328(2) 0.53893(19) 0.0270(8) Uani 1 1 d . . .
H52 H 0.6184 0.1296 0.5729 0.032 Uiso 1 1 calc R . .
C53 C 0.7041(2) 0.2045(2) 0.54406(18) 0.0230(8) Uani 1 1 d . . .
C54 C 0.7592(3) 0.2085(2) 0.49547(18) 0.0253(8) Uani 1 1 d . . .
H54 H 0.7928 0.2571 0.4988 0.030 Uiso 1 1 calc R . .
C55 C 0.7656(3) 0.1424(2) 0.44217(18) 0.0250(8) Uani 1 1 d . . .
C56 C 0.6001(3) -0.0132(2) 0.4668(2) 0.0357(10) Uani 1 1 d . . .
H56A H 0.5371 -0.0175 0.4453 0.043 Uiso 1 1 calc R . .
H56B H 0.5969 -0.0235 0.5096 0.043 Uiso 1 1 calc R . .
C57 C 0.5699(4) -0.1412(3) 0.3758(3) 0.0521(13) Uani 1 1 d . . .
H57A H 0.5240 -0.1290 0.3481 0.078 Uiso 1 1 calc R . .
H57B H 0.5406 -0.1613 0.4075 0.078 Uiso 1 1 calc R . .
H57C H 0.5970 -0.1798 0.3449 0.078 Uiso 1 1 calc R . .
C58 C 0.7115(4) -0.0909(3) 0.4583(3) 0.0502(13) Uani 1 1 d . . .
H58A H 0.7601 -0.0448 0.4856 0.075 Uiso 1 1 calc R . .
H58B H 0.7380 -0.1298 0.4269 0.075 Uiso 1 1 calc R . .
H58C H 0.6820 -0.1112 0.4898 0.075 Uiso 1 1 calc R . .
C59 C 0.8254(3) 0.1367(2) 0.3879(2) 0.0328(9) Uani 1 1 d . . .
H59A H 0.8301 0.1816 0.3749 0.039 Uiso 1 1 calc R . .
H59B H 0.8876 0.1361 0.4066 0.039 Uiso 1 1 calc R . .
C60 C 0.7151(3) 0.0798(3) 0.2803(2) 0.0414(11) Uani 1 1 d . . .
H60A H 0.6861 0.0325 0.2399 0.062 Uiso 1 1 calc R . .
H60B H 0.7456 0.1189 0.2646 0.062 Uiso 1 1 calc R . .
H60C H 0.6685 0.0985 0.3068 0.062 Uiso 1 1 calc R . .
C61 C 0.8566(3) 0.0404(3) 0.2851(2) 0.0406(11) Uani 1 1 d . . .
H61A H 0.9026 0.0296 0.3140 0.061 Uiso 1 1 calc R . .
H61B H 0.8857 0.0818 0.2717 0.061 Uiso 1 1 calc R . .
H61C H 0.8295 -0.0059 0.2432 0.061 Uiso 1 1 calc R . .
C62 C 0.2167(2) 0.4108(2) 0.49298(18) 0.0239(8) Uani 1 1 d . . .
C63 C 0.2899(2) 0.4065(2) 0.45820(18) 0.0251(8) Uani 1 1 d . . .
C64 C 0.3766(2) 0.4166(2) 0.49506(18) 0.0251(8) Uani 1 1 d . . .
H64 H 0.4279 0.4148 0.4721 0.030 Uiso 1 1 calc R . .
C65 C 0.3873(2) 0.4297(2) 0.56608(18) 0.0244(8) Uani 1 1 d . . .
C66 C 0.3122(3) 0.4357(2) 0.59977(18) 0.0264(8) Uani 1 1 d . . .
H66 H 0.3197 0.4461 0.6481 0.032 Uiso 1 1 calc R . .
C67 C 0.2268(3) 0.4267(2) 0.56357(19) 0.0267(8) Uani 1 1 d . . .
C68 C 0.2660(3) 0.3862(3) 0.38164(19) 0.0305(9) Uani 1 1 d . . .
H68A H 0.2661 0.3319 0.3557 0.037 Uiso 1 1 calc R . .
H68B H 0.3120 0.4187 0.3671 0.037 Uiso 1 1 calc R . .
C69 C 0.1300(3) 0.3469(3) 0.2930(2) 0.0438(11) Uani 1 1 d . . .
H69A H 0.1218 0.2934 0.2883 0.066 Uiso 1 1 calc R . .
H69B H 0.1698 0.3565 0.2612 0.066 Uiso 1 1 calc R . .
H69C H 0.0704 0.3564 0.2816 0.066 Uiso 1 1 calc R . .
C70 C 0.1829(3) 0.4786(3) 0.3710(2) 0.0401(11) Uani 1 1 d . . .
H70A H 0.2115 0.5140 0.4186 0.060 Uiso 1 1 calc R . .
H70B H 0.1226 0.4871 0.3598 0.060 Uiso 1 1 calc R . .
H70C H 0.2215 0.4877 0.3384 0.060 Uiso 1 1 calc R . .
C71 C 0.1405(3) 0.4349(3) 0.59336(19) 0.0318(9) Uani 1 1 d . . .
H71A H 0.1392 0.4157 0.6313 0.038 Uiso 1 1 calc R . .
H71B H 0.1388 0.4897 0.6129 0.038 Uiso 1 1 calc R . .
C72 C 0.0377(3) 0.3076(3) 0.5298(3) 0.0441(11) Uani 1 1 d . . .
H72A H 0.0905 0.2861 0.5180 0.066 Uiso 1 1 calc R . .
H72B H -0.0155 0.2779 0.4929 0.066 Uiso 1 1 calc R . .
H72C H 0.0242 0.3053 0.5740 0.066 Uiso 1 1 calc R . .
C73 C -0.0213(3) 0.4210(3) 0.5547(2) 0.0418(11) Uani 1 1 d . . .
H73A H -0.0743 0.3915 0.5175 0.063 Uiso 1 1 calc R . .
H73B H -0.0079 0.4749 0.5600 0.063 Uiso 1 1 calc R . .
H73C H -0.0349 0.4177 0.5985 0.063 Uiso 1 1 calc R . .
C74 C 0.6406(3) 0.2948(3) 0.3619(2) 0.0449(11) Uani 1 1 d D . .
C75 C 0.5503(3) 0.2586(3) 0.3498(2) 0.0448(11) Uani 1 1 d D . .
H75 H 0.5158 0.2717 0.3863 0.054 Uiso 1 1 calc R . .
C76 C 0.5079(3) 0.2029(3) 0.2851(2) 0.0494(12) Uani 1 1 d D . .
H76 H 0.4449 0.1783 0.2777 0.059 Uiso 1 1 calc R . .
C77 C 0.5557(4) 0.1830(3) 0.2320(2) 0.0530(14) Uani 1 1 d D . .
H77 H 0.5265 0.1450 0.1876 0.064 Uiso 1 1 calc R . .
C78 C 0.6468(4) 0.2186(3) 0.2434(3) 0.0561(14) Uani 1 1 d D . .
H78 H 0.6809 0.2049 0.2068 0.067 Uiso 1 1 calc R . .
C79 C 0.6892(4) 0.2741(3) 0.3077(3) 0.0535(13) Uani 1 1 d D . .
H79 H 0.7522 0.2984 0.3149 0.064 Uiso 1 1 calc R . .
C80 C 0.6848(4) 0.3575(3) 0.4317(3) 0.0602(15) Uani 1 1 d D . .
H80A H 0.6396 0.3645 0.4627 0.090 Uiso 1 1 calc R . .
H80B H 0.7076 0.4055 0.4257 0.090 Uiso 1 1 calc R . .
H80C H 0.7358 0.3431 0.4520 0.090 Uiso 1 1 calc R . .
C81 C 0.7306(4) 0.2436(2) 0.9180(3) 0.0702(17) Uani 1 1 d DU . .
C82 C 0.7936(5) 0.2571(3) 0.9742(3) 0.094(2) Uani 1 1 d DU . .
H82 H 0.7734 0.2502 1.0136 0.113 Uiso 1 1 calc R . .
C83 C 0.8865(5) 0.2804(3) 0.9759(4) 0.092(2) Uani 1 1 d DU . .
H83 H 0.9285 0.2892 1.0163 0.110 Uiso 1 1 calc R . .
C84 C 0.9178(5) 0.2906(3) 0.9223(4) 0.112(3) Uani 1 1 d DU . .
H84 H 0.9818 0.3066 0.9243 0.135 Uiso 1 1 calc R . .
C85 C 0.8572(5) 0.2779(3) 0.8631(4) 0.103(3) Uani 1 1 d DU . .
H85 H 0.8791 0.2851 0.8244 0.123 Uiso 1 1 calc R . .
C86 C 0.7637(5) 0.2544(3) 0.8613(4) 0.101(2) Uani 1 1 d DU . .
H86 H 0.7218 0.2456 0.8209 0.121 Uiso 1 1 calc R . .
C87 C 0.6302(4) 0.2183(3) 0.9197(4) 0.084(2) Uani 1 1 d DU . .
H87A H 0.6233 0.2151 0.9647 0.126 Uiso 1 1 calc R . .
H87B H 0.6041 0.1678 0.8823 0.126 Uiso 1 1 calc R . .
H87C H 0.5982 0.2556 0.9132 0.126 Uiso 1 1 calc R . .
C88 C 0.6926(4) 1.0534(4) 0.6832(2) 0.0698(17) Uani 1 1 d DU . .
C89 C 0.6207(5) 1.0774(4) 0.7092(3) 0.111(3) Uani 1 1 d DU . .
H89 H 0.6267 1.1305 0.7353 0.133 Uiso 1 1 calc R . .
C90 C 0.5364(5) 1.0245(4) 0.6980(3) 0.101(3) Uani 1 1 d DU . .
H90 H 0.4860 1.0419 0.7166 0.121 Uiso 1 1 calc R . .
C91 C 0.5278(4) 0.9501(4) 0.6615(3) 0.083(2) Uani 1 1 d DU . .
H91 H 0.4711 0.9145 0.6540 0.099 Uiso 1 1 calc R . .
C92 C 0.6001(4) 0.9246(4) 0.6347(3) 0.093(2) Uani 1 1 d DU . .
H92 H 0.5938 0.8714 0.6086 0.112 Uiso 1 1 calc R . .
C93 C 0.6814(5) 0.9761(4) 0.6457(3) 0.099(3) Uani 1 1 d DU . .
H93 H 0.7314 0.9582 0.6270 0.119 Uiso 1 1 calc R . .
C94 C 0.7843(5) 1.1079(5) 0.6937(4) 0.122(3) Uani 1 1 d DU . .
H94A H 0.7812 1.1605 0.7211 0.183 Uiso 1 1 calc R . .
H94B H 0.7995 1.1045 0.6484 0.183 Uiso 1 1 calc R . .
H94C H 0.8316 1.0939 0.7186 0.183 Uiso 1 1 calc R . .
Cl5 Cl 0.93090(15) 0.06525(12) 0.12257(12) 0.1016(6) Uani 1 1 d D . .
Cl6 Cl 0.90706(12) 0.21113(11) 0.21224(10) 0.0893(5) Uani 1 1 d D . .
Cl7 Cl 1.00351(18) 0.19980(17) 0.09893(14) 0.1478(11) Uani 1 1 d D . .
C95 C 0.9153(4) 0.1544(3) 0.1274(3) 0.078(2) Uani 1 1 d D . .
H95 H 0.8567 0.1458 0.0961 0.094 Uiso 1 1 calc R . .
Cl8 Cl 0.24238(17) 0.37455(11) 0.78669(10) 0.1023(7) Uani 1 1 d D . .
Cl9 Cl 0.35452(13) 0.32085(10) 0.68377(9) 0.0808(5) Uani 1 1 d D . .
Cl10 Cl 0.16339(16) 0.25493(15) 0.65374(10) 0.1178(8) Uani 1 1 d D . .
C96 C 0.2583(3) 0.2952(3) 0.7181(2) 0.0649(16) Uani 1 1 d D . .
H96 H 0.2684 0.2558 0.7368 0.078 Uiso 1 1 calc R . .
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'
Br Br -0.2901 2.4595 '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'
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'
Zn Zn 0.2839 1.4301 '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
C26 Pd1 N7 80.73(15) . . ?
C26 Pd1 N6 81.45(15) . . ?
N7 Pd1 N6 162.10(14) . . ?
C26 Pd1 Cl1 178.0(5) . . ?
N7 Pd1 Cl1 98.0(5) . . ?
N6 Pd1 Cl1 99.8(5) . . ?
C26 Pd1 Br1 178.9(2) . . ?
N7 Pd1 Br1 98.2(2) . . ?
N6 Pd1 Br1 99.6(2) . . ?
Cl1 Pd1 Br1 2.1(7) . . ?
C38 Pd2 N8 81.54(14) . . ?
C38 Pd2 N9 81.47(14) . . ?
N8 Pd2 N9 163.00(12) . . ?
C38 Pd2 Cl2 174.7(3) . . ?
N8 Pd2 Cl2 95.4(3) . . ?
N9 Pd2 Cl2 101.6(3) . . ?
C38 Pd2 Br2 179.22(16) . . ?
N8 Pd2 Br2 97.69(14) . . ?
N9 Pd2 Br2 99.30(14) . . ?
Cl2 Pd2 Br2 4.7(3) . . ?
C50 Pd3 N11 81.37(14) . . ?
C50 Pd3 N10 81.46(14) . . ?
N11 Pd3 N10 162.83(12) . . ?
C50 Pd3 Cl3 176.9(4) . . ?
N11 Pd3 Cl3 95.8(4) . . ?
N10 Pd3 Cl3 101.3(4) . . ?
C50 Pd3 Br3 174.96(18) . . ?
N11 Pd3 Br3 98.18(17) . . ?
N10 Pd3 Br3 98.89(17) . . ?
Cl3 Pd3 Br3 4.4(4) . . ?
C62 Pd4 N12 80.92(13) . . ?
C62 Pd4 N13 82.07(14) . . ?
N12 Pd4 N13 162.90(12) . . ?
C62 Pd4 Cl4 171.6(2) . . ?
N12 Pd4 Cl4 99.6(2) . . ?
N13 Pd4 Cl4 97.5(2) . . ?
C62 Pd4 Br4 178.96(14) . . ?
N12 Pd4 Br4 99.96(12) . . ?
N13 Pd4 Br4 97.06(12) . . ?
Cl4 Pd4 Br4 7.8(2) . . ?
N2 Zn1 N1 87.71(11) . . ?
N2 Zn1 N4 159.45(11) . . ?
N1 Zn1 N4 87.88(11) . . ?
N2 Zn1 N3 88.33(11) . . ?
N1 Zn1 N3 156.94(11) . . ?
N4 Zn1 N3 87.92(11) . . ?
N2 Zn1 N5 102.35(11) . . ?
N1 Zn1 N5 100.08(12) . . ?
N4 Zn1 N5 98.18(12) . . ?
N3 Zn1 N5 102.95(12) . . ?
C1 N1 C4 106.5(3) . . ?
C1 N1 Zn1 126.6(2) . . ?
C4 N1 Zn1 126.9(2) . . ?
C6 N2 C9 106.0(3) . . ?
C6 N2 Zn1 127.2(2) . . ?
C9 N2 Zn1 126.7(2) . . ?
C14 N3 C11 106.4(3) . . ?
C14 N3 Zn1 126.8(2) . . ?
C11 N3 Zn1 126.8(2) . . ?
C16 N4 C19 106.7(3) . . ?
C16 N4 Zn1 125.9(2) . . ?
C19 N4 Zn1 125.7(2) . . ?
C25 N5 C21 117.4(3) . . ?
C25 N5 Zn1 121.4(3) . . ?
C21 N5 Zn1 121.1(3) . . ?
C33 N6 C34 108.3(4) . . ?
C33 N6 C32 109.3(4) . . ?
C34 N6 C32 107.9(4) . . ?
C33 N6 Pd1 107.5(3) . . ?
C34 N6 Pd1 114.8(3) . . ?
C32 N6 Pd1 109.0(3) . . ?
C37 N7 C36 108.3(3) . . ?
C37 N7 C35 109.1(3) . . ?
C36 N7 C35 108.4(3) . . ?
C37 N7 Pd1 116.5(3) . . ?
C36 N7 Pd1 105.2(3) . . ?
C35 N7 Pd1 109.0(2) . . ?
C46 N8 C45 108.1(4) . . ?
C46 N8 C44 108.8(3) . . ?
C45 N8 C44 109.5(3) . . ?
C46 N8 Pd2 106.8(3) . . ?
C45 N8 Pd2 114.9(2) . . ?
C44 N8 Pd2 108.6(2) . . ?
C48 N9 C49 108.8(3) . . ?
C48 N9 C47 109.7(3) . . ?
C49 N9 C47 109.1(3) . . ?
C48 N9 Pd2 114.7(2) . . ?
C49 N9 Pd2 105.3(3) . . ?
C47 N9 Pd2 109.2(2) . . ?
C57 N10 C58 108.6(4) . . ?
C57 N10 C56 109.0(3) . . ?
C58 N10 C56 108.0(3) . . ?
C57 N10 Pd3 115.6(3) . . ?
C58 N10 Pd3 106.8(3) . . ?
C56 N10 Pd3 108.6(2) . . ?
C60 N11 C61 108.2(3) . . ?
C60 N11 C59 108.6(3) . . ?
C61 N11 C59 109.0(3) . . ?
C60 N11 Pd3 107.1(3) . . ?
C61 N11 Pd3 114.9(3) . . ?
C59 N11 Pd3 108.8(2) . . ?
C70 N12 C69 108.1(3) . . ?
C70 N12 C68 108.8(3) . . ?
C69 N12 C68 109.1(3) . . ?
C70 N12 Pd4 105.8(2) . . ?
C69 N12 Pd4 115.4(3) . . ?
C68 N12 Pd4 109.5(2) . . ?
C73 N13 C72 108.7(3) . . ?
C73 N13 C71 109.7(3) . . ?
C72 N13 C71 109.2(3) . . ?
C73 N13 Pd4 115.0(3) . . ?
C72 N13 Pd4 106.3(3) . . ?
C71 N13 Pd4 107.7(2) . . ?
N1 C1 C20 126.1(3) . . ?
N1 C1 C2 109.6(3) . . ?
C20 C1 C2 124.4(3) . . ?
C3 C2 C1 107.4(3) . . ?
C3 C2 H2 126.3 . . ?
C1 C2 H2 126.3 . . ?
C2 C3 C4 107.0(3) . . ?
C2 C3 H3 126.5 . . ?
C4 C3 H3 126.5 . . ?
N1 C4 C5 126.2(3) . . ?
N1 C4 C3 109.6(3) . . ?
C5 C4 C3 124.2(3) . . ?
C4 C5 C6 124.8(3) . . ?
C4 C5 C29 117.1(3) . . ?
C6 C5 C29 117.9(3) . . ?
N2 C6 C5 124.9(3) . . ?
N2 C6 C7 110.3(3) . . ?
C5 C6 C7 124.3(3) . . ?
C8 C7 C6 106.9(3) . . ?
C8 C7 H7 126.6 . . ?
C6 C7 H7 126.6 . . ?
C7 C8 C9 107.3(3) . . ?
C7 C8 H8 126.3 . . ?
C9 C8 H8 126.3 . . ?
N2 C9 C10 126.0(3) . . ?
N2 C9 C8 109.3(3) . . ?
C10 C9 C8 124.6(3) . . ?
C9 C10 C11 125.3(3) . . ?
C9 C10 C41 116.8(3) . . ?
C11 C10 C41 117.4(3) . . ?
N3 C11 C10 125.7(3) . . ?
N3 C11 C12 109.7(3) . . ?
C10 C11 C12 124.6(3) . . ?
C13 C12 C11 107.4(3) . . ?
C13 C12 H12 126.3 . . ?
C11 C12 H12 126.3 . . ?
C12 C13 C14 106.9(3) . . ?
C12 C13 H13 126.6 . . ?
C14 C13 H13 126.6 . . ?
N3 C14 C15 125.6(3) . . ?
N3 C14 C13 109.6(3) . . ?
C15 C14 C13 124.6(3) . . ?
C16 C15 C14 125.4(3) . . ?
C16 C15 C53 116.5(3) . . ?
C14 C15 C53 117.9(3) . . ?
N4 C16 C15 125.3(3) . . ?
N4 C16 C17 109.5(3) . . ?
C15 C16 C17 125.1(3) . . ?
C18 C17 C16 107.2(3) . . ?
C18 C17 H17 126.4 . . ?
C16 C17 H17 126.4 . . ?
C17 C18 C19 107.5(3) . . ?
C17 C18 H18 126.2 . . ?
C19 C18 H18 126.2 . . ?
N4 C19 C20 125.1(3) . . ?
N4 C19 C18 109.0(3) . . ?
C20 C19 C18 125.8(3) . . ?
C19 C20 C1 125.1(3) . . ?
C19 C20 C65 118.4(3) . . ?
C1 C20 C65 116.5(3) . . ?
N5 C21 C22 122.8(4) . . ?
N5 C21 H21 118.6 . . ?
C22 C21 H21 118.6 . . ?
C21 C22 C23 119.1(4) . . ?
C21 C22 H22 120.5 . . ?
C23 C22 H22 120.5 . . ?
C22 C23 C24 118.9(4) . . ?
C22 C23 H23 120.6 . . ?
C24 C23 H23 120.6 . . ?
C25 C24 C23 118.2(4) . . ?
C25 C24 H24 120.9 . . ?
C23 C24 H24 120.9 . . ?
N5 C25 C24 123.6(4) . . ?
N5 C25 H25 118.2 . . ?
C24 C25 H25 118.2 . . ?
C31 C26 C27 122.1(4) . . ?
C31 C26 Pd1 119.1(3) . . ?
C27 C26 Pd1 118.9(3) . . ?
C26 C27 C28 119.1(4) . . ?
C26 C27 C32 115.1(4) . . ?
C28 C27 C32 125.7(4) . . ?
C27 C28 C29 120.1(4) . . ?
C27 C28 H28 120.0 . . ?
C29 C28 H28 120.0 . . ?
C28 C29 C30 119.6(3) . . ?
C28 C29 C5 119.9(3) . . ?
C30 C29 C5 120.5(3) . . ?
C31 C30 C29 119.7(3) . . ?
C31 C30 H30 120.2 . . ?
C29 C30 H30 120.2 . . ?
C26 C31 C30 119.4(3) . . ?
C26 C31 C35 114.5(3) . . ?
C30 C31 C35 126.2(3) . . ?
C27 C32 N6 108.6(4) . . ?
C27 C32 H32A 110.0 . . ?
N6 C32 H32A 110.0 . . ?
C27 C32 H32B 110.0 . . ?
N6 C32 H32B 110.0 . . ?
H32A C32 H32B 108.3 . . ?
N6 C33 H33A 109.5 . . ?
N6 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
N6 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
N6 C34 H34A 109.5 . . ?
N6 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
N6 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C31 C35 N7 107.9(3) . . ?
C31 C35 H35A 110.1 . . ?
N7 C35 H35A 110.1 . . ?
C31 C35 H35B 110.1 . . ?
N7 C35 H35B 110.1 . . ?
H35A C35 H35B 108.4 . . ?
N7 C36 H36A 109.5 . . ?
N7 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
N7 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
N7 C37 H37A 109.5 . . ?
N7 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
N7 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C43 C38 C39 121.5(3) . . ?
C43 C38 Pd2 120.0(3) . . ?
C39 C38 Pd2 118.5(3) . . ?
C40 C39 C38 118.7(3) . . ?
C40 C39 C44 126.9(3) . . ?
C38 C39 C44 114.3(3) . . ?
C39 C40 C41 120.8(3) . . ?
C39 C40 H40 119.6 . . ?
C41 C40 H40 119.6 . . ?
C42 C41 C40 119.7(3) . . ?
C42 C41 C10 122.6(3) . . ?
C40 C41 C10 117.6(3) . . ?
C43 C42 C41 119.8(3) . . ?
C43 C42 H42 120.1 . . ?
C41 C42 H42 120.1 . . ?
C38 C43 C42 119.4(3) . . ?
C38 C43 C47 113.9(3) . . ?
C42 C43 C47 126.6(3) . . ?
N8 C44 C39 109.3(3) . . ?
N8 C44 H44A 109.8 . . ?
C39 C44 H44A 109.8 . . ?
N8 C44 H44B 109.8 . . ?
C39 C44 H44B 109.8 . . ?
H44A C44 H44B 108.3 . . ?
N8 C45 H45A 109.5 . . ?
N8 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
N8 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
N8 C46 H46A 109.5 . . ?
N8 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
N8 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C43 C47 N9 110.1(3) . . ?
C43 C47 H47A 109.6 . . ?
N9 C47 H47A 109.6 . . ?
C43 C47 H47B 109.6 . . ?
N9 C47 H47B 109.6 . . ?
H47A C47 H47B 108.2 . . ?
N9 C48 H48A 109.5 . . ?
N9 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
N9 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
N9 C49 H49A 109.5 . . ?
N9 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
N9 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C51 C50 C55 121.5(3) . . ?
C51 C50 Pd3 119.3(3) . . ?
C55 C50 Pd3 119.0(3) . . ?
C50 C51 C52 119.1(4) . . ?
C50 C51 C56 114.4(3) . . ?
C52 C51 C56 126.3(3) . . ?
C51 C52 C53 120.3(3) . . ?
C51 C52 H52 119.9 . . ?
C53 C52 H52 119.9 . . ?
C54 C53 C52 119.5(3) . . ?
C54 C53 C15 118.9(3) . . ?
C52 C53 C15 121.4(3) . . ?
C55 C54 C53 120.6(4) . . ?
C55 C54 H54 119.7 . . ?
C53 C54 H54 119.7 . . ?
C54 C55 C50 118.9(3) . . ?
C54 C55 C59 127.1(3) . . ?
C50 C55 C59 114.0(3) . . ?
C51 C56 N10 108.9(3) . . ?
C51 C56 H56A 109.9 . . ?
N10 C56 H56A 109.9 . . ?
C51 C56 H56B 109.9 . . ?
N10 C56 H56B 109.9 . . ?
H56A C56 H56B 108.3 . . ?
N10 C57 H57A 109.5 . . ?
N10 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
N10 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
N10 C58 H58A 109.5 . . ?
N10 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
N10 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
N11 C59 C55 108.6(3) . . ?
N11 C59 H59A 110.0 . . ?
C55 C59 H59A 110.0 . . ?
N11 C59 H59B 110.0 . . ?
C55 C59 H59B 110.0 . . ?
H59A C59 H59B 108.4 . . ?
N11 C60 H60A 109.5 . . ?
N11 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
N11 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
N11 C61 H61A 109.5 . . ?
N11 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
N11 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C63 C62 C67 122.0(3) . . ?
C63 C62 Pd4 119.4(3) . . ?
C67 C62 Pd4 118.5(3) . . ?
C62 C63 C64 119.0(3) . . ?
C62 C63 C68 114.8(3) . . ?
C64 C63 C68 126.1(3) . . ?
C63 C64 C65 119.7(3) . . ?
C63 C64 H64 120.1 . . ?
C65 C64 H64 120.1 . . ?
C66 C65 C64 119.5(3) . . ?
C66 C65 C20 118.5(3) . . ?
C64 C65 C20 122.0(3) . . ?
C67 C66 C65 120.7(3) . . ?
C67 C66 H66 119.6 . . ?
C65 C66 H66 119.6 . . ?
C62 C67 C66 118.9(3) . . ?
C62 C67 C71 114.3(3) . . ?
C66 C67 C71 126.7(3) . . ?
C63 C68 N12 109.2(3) . . ?
C63 C68 H68A 109.8 . . ?
N12 C68 H68A 109.8 . . ?
C63 C68 H68B 109.8 . . ?
N12 C68 H68B 109.8 . . ?
H68A C68 H68B 108.3 . . ?
N12 C69 H69A 109.5 . . ?
N12 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
N12 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
N12 C70 H70A 109.5 . . ?
N12 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
N12 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
N13 C71 C67 109.2(3) . . ?
N13 C71 H71A 109.8 . . ?
C67 C71 H71A 109.8 . . ?
N13 C71 H71B 109.8 . . ?
C67 C71 H71B 109.8 . . ?
H71A C71 H71B 108.3 . . ?
N13 C72 H72A 109.5 . . ?
N13 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
N13 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
N13 C73 H73A 109.5 . . ?
N13 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
N13 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C75 C74 C79 118.1(4) . . ?
C75 C74 C80 120.5(4) . . ?
C79 C74 C80 121.4(5) . . ?
C74 C75 C76 121.0(4) . . ?
C74 C75 H75 119.5 . . ?
C76 C75 H75 119.5 . . ?
C77 C76 C75 120.6(5) . . ?
C77 C76 H76 119.7 . . ?
C75 C76 H76 119.7 . . ?
C76 C77 C78 119.1(5) . . ?
C76 C77 H77 120.4 . . ?
C78 C77 H77 120.4 . . ?
C77 C78 C79 120.5(5) . . ?
C77 C78 H78 119.8 . . ?
C79 C78 H78 119.8 . . ?
C78 C79 C74 120.7(5) . . ?
C78 C79 H79 119.7 . . ?
C74 C79 H79 119.7 . . ?
C74 C80 H80A 109.5 . . ?
C74 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C74 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C82 C81 C86 116.8(6) . . ?
C82 C81 C87 119.3(6) . . ?
C86 C81 C87 123.9(6) . . ?
C81 C82 C83 122.1(7) . . ?
C81 C82 H82 119.0 . . ?
C83 C82 H82 119.0 . . ?
C84 C83 C82 121.1(7) . . ?
C84 C83 H83 119.5 . . ?
C82 C83 H83 119.5 . . ?
C83 C84 C85 119.9(7) . . ?
C83 C84 H84 120.0 . . ?
C85 C84 H84 120.0 . . ?
C84 C85 C86 119.1(7) . . ?
C84 C85 H85 120.5 . . ?
C86 C85 H85 120.5 . . ?
C85 C86 C81 121.0(6) . . ?
C85 C86 H86 119.5 . . ?
C81 C86 H86 119.5 . . ?
C81 C87 H87A 109.5 . . ?
C81 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
C81 C87 H87C 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C89 C88 C93 118.1(6) . . ?
C89 C88 C94 122.6(7) . . ?
C93 C88 C94 119.3(6) . . ?
C88 C89 C90 120.6(7) . . ?
C88 C89 H89 119.7 . . ?
C90 C89 H89 119.7 . . ?
C91 C90 C89 119.8(7) . . ?
C91 C90 H90 120.1 . . ?
C89 C90 H90 120.1 . . ?
C90 C91 C92 120.4(6) . . ?
C90 C91 H91 119.8 . . ?
C92 C91 H91 119.8 . . ?
C93 C92 C91 119.4(7) . . ?
C93 C92 H92 120.3 . . ?
C91 C92 H92 120.3 . . ?
C92 C93 C88 121.7(7) . . ?
C92 C93 H93 119.2 . . ?
C88 C93 H93 119.2 . . ?
C88 C94 H94A 109.5 . . ?
C88 C94 H94B 109.5 . . ?
H94A C94 H94B 109.5 . . ?
C88 C94 H94C 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
Cl7 C95 Cl5 110.2(3) . . ?
Cl7 C95 Cl6 111.0(3) . . ?
Cl5 C95 Cl6 110.5(3) . . ?
Cl7 C95 H95 108.4 . . ?
Cl5 C95 H95 108.4 . . ?
Cl6 C95 H95 108.4 . . ?
Cl10 C96 Cl9 110.1(3) . . ?
Cl10 C96 Cl8 111.1(3) . . ?
Cl9 C96 Cl8 111.0(3) . . ?
Cl10 C96 H96 108.2 . . ?
Cl9 C96 H96 108.2 . . ?
Cl8 C96 H96 108.2 . . ?
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 C26 1.924(4) . ?
Pd1 N7 2.090(3) . ?
Pd1 N6 2.099(4) . ?
Pd1 Cl1 2.362(5) . ?
Pd1 Br1 2.570(2) . ?
Pd2 C38 1.905(3) . ?
Pd2 N8 2.105(3) . ?
Pd2 N9 2.110(3) . ?
Pd2 Cl2 2.369(5) . ?
Pd2 Br2 2.556(2) . ?
Pd3 C50 1.910(3) . ?
Pd3 N11 2.098(3) . ?
Pd3 N10 2.100(3) . ?
Pd3 Cl3 2.367(5) . ?
Pd3 Br3 2.553(2) . ?
Pd4 C62 1.914(4) . ?
Pd4 N12 2.096(3) . ?
Pd4 N13 2.111(3) . ?
Pd4 Cl4 2.367(4) . ?
Pd4 Br4 2.5633(18) . ?
Zn1 N2 2.072(3) . ?
Zn1 N1 2.072(3) . ?
Zn1 N4 2.081(3) . ?
Zn1 N3 2.082(3) . ?
Zn1 N5 2.100(3) . ?
N1 C1 1.368(4) . ?
N1 C4 1.375(4) . ?
N2 C6 1.373(5) . ?
N2 C9 1.376(4) . ?
N3 C14 1.366(4) . ?
N3 C11 1.370(4) . ?
N4 C16 1.368(4) . ?
N4 C19 1.376(4) . ?
N5 C25 1.334(5) . ?
N5 C21 1.339(5) . ?
N6 C33 1.470(7) . ?
N6 C34 1.493(6) . ?
N6 C32 1.513(6) . ?
N7 C37 1.478(5) . ?
N7 C36 1.494(5) . ?
N7 C35 1.505(5) . ?
N8 C46 1.478(6) . ?
N8 C45 1.486(5) . ?
N8 C44 1.491(5) . ?
N9 C48 1.467(5) . ?
N9 C49 1.494(6) . ?
N9 C47 1.505(5) . ?
N10 C57 1.473(6) . ?
N10 C58 1.499(6) . ?
N10 C56 1.513(5) . ?
N11 C60 1.485(5) . ?
N11 C61 1.489(5) . ?
N11 C59 1.502(5) . ?
N12 C70 1.475(5) . ?
N12 C69 1.480(5) . ?
N12 C68 1.509(5) . ?
N13 C73 1.478(5) . ?
N13 C72 1.497(6) . ?
N13 C71 1.505(5) . ?
C1 C20 1.398(5) . ?
C1 C2 1.439(5) . ?
C2 C3 1.347(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.440(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.397(5) . ?
C5 C6 1.404(5) . ?
C5 C29 1.492(5) . ?
C6 C7 1.437(5) . ?
C7 C8 1.345(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.450(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.383(5) . ?
C10 C11 1.414(5) . ?
C10 C41 1.492(5) . ?
C11 C12 1.432(5) . ?
C12 C13 1.346(5) . ?
C12 H12 0.9500 . ?
C13 C14 1.442(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.404(5) . ?
C15 C16 1.403(5) . ?
C15 C53 1.503(5) . ?
C16 C17 1.443(5) . ?
C17 C18 1.341(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.443(5) . ?
C18 H18 0.9500 . ?
C19 C20 1.398(5) . ?
C20 C65 1.502(5) . ?
C21 C22 1.365(6) . ?
C21 H21 0.9500 . ?
C22 C23 1.378(7) . ?
C22 H22 0.9500 . ?
C23 C24 1.380(7) . ?
C23 H23 0.9500 . ?
C24 C25 1.368(6) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 C31 1.371(5) . ?
C26 C27 1.373(5) . ?
C27 C28 1.384(6) . ?
C27 C32 1.509(6) . ?
C28 C29 1.396(5) . ?
C28 H28 0.9500 . ?
C29 C30 1.397(5) . ?
C30 C31 1.387(5) . ?
C30 H30 0.9500 . ?
C31 C35 1.502(5) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 C43 1.391(5) . ?
C38 C39 1.398(5) . ?
C39 C40 1.384(5) . ?
C39 C44 1.492(5) . ?
C40 C41 1.404(5) . ?
C40 H40 0.9500 . ?
C41 C42 1.399(5) . ?
C42 C43 1.394(5) . ?
C42 H42 0.9500 . ?
C43 C47 1.505(5) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 C51 1.381(5) . ?
C50 C55 1.390(5) . ?
C51 C52 1.385(5) . ?
C51 C56 1.511(5) . ?
C52 C53 1.400(5) . ?
C52 H52 0.9500 . ?
C53 C54 1.387(5) . ?
C54 C55 1.383(5) . ?
C54 H54 0.9500 . ?
C55 C59 1.502(5) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 C63 1.379(5) . ?
C62 C67 1.384(5) . ?
C63 C64 1.400(5) . ?
C63 C68 1.497(5) . ?
C64 C65 1.404(5) . ?
C64 H64 0.9500 . ?
C65 C66 1.393(5) . ?
C66 C67 1.383(5) . ?
C66 H66 0.9500 . ?
C67 C71 1.508(5) . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C74 C75 1.364(6) . ?
C74 C79 1.389(6) . ?
C74 C80 1.508(6) . ?
C75 C76 1.386(6) . ?
C75 H75 0.9500 . ?
C76 C77 1.361(6) . ?
C76 H76 0.9500 . ?
C77 C78 1.373(6) . ?
C77 H77 0.9500 . ?
C78 C79 1.378(6) . ?
C78 H78 0.9500 . ?
C79 H79 0.9500 . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C81 C82 1.356(7) . ?
C81 C86 1.397(7) . ?
C81 C87 1.510(7) . ?
C82 C83 1.384(7) . ?
C82 H82 0.9500 . ?
C83 C84 1.320(8) . ?
C83 H83 0.9500 . ?
C84 C85 1.387(8) . ?
C84 H84 0.9500 . ?
C85 C86 1.392(7) . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 0.9800 . ?
C88 C89 1.346(7) . ?
C88 C93 1.375(7) . ?
C88 C94 1.514(7) . ?
C89 C90 1.412(7) . ?
C89 H89 0.9500 . ?
C90 C91 1.331(7) . ?
C90 H90 0.9500 . ?
C91 C92 1.368(7) . ?
C91 H91 0.9500 . ?
C92 C93 1.366(7) . ?
C92 H92 0.9500 . ?
C93 H93 0.9500 . ?
C94 H94A 0.9800 . ?
C94 H94B 0.9800 . ?
C94 H94C 0.9800 . ?
Cl5 C95 1.746(5) . ?
Cl6 C95 1.747(5) . ?
Cl7 C95 1.726(5) . ?
C95 H95 1.0000 . ?
Cl8 C96 1.752(5) . ?
Cl9 C96 1.747(5) . ?
Cl10 C96 1.714(5) . ?
C96 H96 1.0000 . ?
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
N2 Zn1 N1 C1 172.3(3) . . . . ?
N4 Zn1 N1 C1 12.4(3) . . . . ?
N3 Zn1 N1 C1 92.0(4) . . . . ?
N5 Zn1 N1 C1 -85.5(3) . . . . ?
N2 Zn1 N1 C4 -9.6(3) . . . . ?
N4 Zn1 N1 C4 -169.5(3) . . . . ?
N3 Zn1 N1 C4 -89.9(4) . . . . ?
N5 Zn1 N1 C4 92.5(3) . . . . ?
N1 Zn1 N2 C6 16.4(3) . . . . ?
N4 Zn1 N2 C6 94.2(4) . . . . ?
N3 Zn1 N2 C6 173.7(3) . . . . ?
N5 Zn1 N2 C6 -83.4(3) . . . . ?
N1 Zn1 N2 C9 -169.2(3) . . . . ?
N4 Zn1 N2 C9 -91.5(4) . . . . ?
N3 Zn1 N2 C9 -11.9(3) . . . . ?
N5 Zn1 N2 C9 91.0(3) . . . . ?
N2 Zn1 N3 C14 -172.2(3) . . . . ?
N1 Zn1 N3 C14 -92.0(4) . . . . ?
N4 Zn1 N3 C14 -12.4(3) . . . . ?
N5 Zn1 N3 C14 85.5(3) . . . . ?
N2 Zn1 N3 C11 8.0(3) . . . . ?
N1 Zn1 N3 C11 88.2(4) . . . . ?
N4 Zn1 N3 C11 167.8(3) . . . . ?
N5 Zn1 N3 C11 -94.3(3) . . . . ?
N2 Zn1 N4 C16 98.5(4) . . . . ?
N1 Zn1 N4 C16 176.2(3) . . . . ?
N3 Zn1 N4 C16 18.9(3) . . . . ?
N5 Zn1 N4 C16 -83.9(3) . . . . ?
N2 Zn1 N4 C19 -98.0(4) . . . . ?
N1 Zn1 N4 C19 -20.3(3) . . . . ?
N3 Zn1 N4 C19 -177.7(3) . . . . ?
N5 Zn1 N4 C19 79.5(3) . . . . ?
N2 Zn1 N5 C25 55.2(3) . . . . ?
N1 Zn1 N5 C25 -34.7(3) . . . . ?
N4 Zn1 N5 C25 -124.0(3) . . . . ?
N3 Zn1 N5 C25 146.3(3) . . . . ?
N2 Zn1 N5 C21 -128.4(3) . . . . ?
N1 Zn1 N5 C21 141.8(3) . . . . ?
N4 Zn1 N5 C21 52.5(3) . . . . ?
N3 Zn1 N5 C21 -37.3(3) . . . . ?
C26 Pd1 N6 C33 96.7(3) . . . . ?
N7 Pd1 N6 C33 102.3(6) . . . . ?
Cl1 Pd1 N6 C33 -81.7(6) . . . . ?
Br1 Pd1 N6 C33 -83.8(4) . . . . ?
C26 Pd1 N6 C34 -142.7(4) . . . . ?
N7 Pd1 N6 C34 -137.1(5) . . . . ?
Cl1 Pd1 N6 C34 38.9(6) . . . . ?
Br1 Pd1 N6 C34 36.8(4) . . . . ?
C26 Pd1 N6 C32 -21.7(4) . . . . ?
N7 Pd1 N6 C32 -16.0(7) . . . . ?
Cl1 Pd1 N6 C32 159.9(6) . . . . ?
Br1 Pd1 N6 C32 157.8(4) . . . . ?
C26 Pd1 N7 C37 -147.7(3) . . . . ?
N6 Pd1 N7 C37 -153.4(5) . . . . ?
Cl1 Pd1 N7 C37 30.7(5) . . . . ?
Br1 Pd1 N7 C37 32.7(4) . . . . ?
C26 Pd1 N7 C36 92.3(3) . . . . ?
N6 Pd1 N7 C36 86.7(6) . . . . ?
Cl1 Pd1 N7 C36 -89.3(5) . . . . ?
Br1 Pd1 N7 C36 -87.2(3) . . . . ?
C26 Pd1 N7 C35 -23.7(3) . . . . ?
N6 Pd1 N7 C35 -29.4(6) . . . . ?
Cl1 Pd1 N7 C35 154.6(5) . . . . ?
Br1 Pd1 N7 C35 156.7(3) . . . . ?
C38 Pd2 N8 C46 -95.3(3) . . . . ?
N9 Pd2 N8 C46 -94.1(5) . . . . ?
Cl2 Pd2 N8 C46 89.0(4) . . . . ?
Br2 Pd2 N8 C46 84.9(3) . . . . ?
C38 Pd2 N8 C45 144.8(3) . . . . ?
N9 Pd2 N8 C45 146.0(4) . . . . ?
Cl2 Pd2 N8 C45 -30.9(4) . . . . ?
Br2 Pd2 N8 C45 -35.0(3) . . . . ?
C38 Pd2 N8 C44 21.9(3) . . . . ?
N9 Pd2 N8 C44 23.1(6) . . . . ?
Cl2 Pd2 N8 C44 -153.8(4) . . . . ?
Br2 Pd2 N8 C44 -158.0(3) . . . . ?
C38 Pd2 N9 C48 142.5(3) . . . . ?
N8 Pd2 N9 C48 141.3(4) . . . . ?
Cl2 Pd2 N9 C48 -41.9(4) . . . . ?
Br2 Pd2 N9 C48 -37.7(3) . . . . ?
C38 Pd2 N9 C49 -98.0(3) . . . . ?
N8 Pd2 N9 C49 -99.2(5) . . . . ?
Cl2 Pd2 N9 C49 77.6(4) . . . . ?
Br2 Pd2 N9 C49 81.9(3) . . . . ?
C38 Pd2 N9 C47 19.0(3) . . . . ?
N8 Pd2 N9 C47 17.8(6) . . . . ?
Cl2 Pd2 N9 C47 -165.4(4) . . . . ?
Br2 Pd2 N9 C47 -161.2(3) . . . . ?
C50 Pd3 N10 C57 145.4(3) . . . . ?
N11 Pd3 N10 C57 144.3(4) . . . . ?
Cl3 Pd3 N10 C57 -33.3(5) . . . . ?
Br3 Pd3 N10 C57 -29.6(4) . . . . ?
C50 Pd3 N10 C58 -93.7(3) . . . . ?
N11 Pd3 N10 C58 -94.8(5) . . . . ?
Cl3 Pd3 N10 C58 87.6(4) . . . . ?
Br3 Pd3 N10 C58 91.3(3) . . . . ?
C50 Pd3 N10 C56 22.5(3) . . . . ?
N11 Pd3 N10 C56 21.5(6) . . . . ?
Cl3 Pd3 N10 C56 -156.1(4) . . . . ?
Br3 Pd3 N10 C56 -152.4(3) . . . . ?
C50 Pd3 N11 C60 -95.1(3) . . . . ?
N10 Pd3 N11 C60 -94.0(5) . . . . ?
Cl3 Pd3 N11 C60 83.6(4) . . . . ?
Br3 Pd3 N11 C60 79.8(3) . . . . ?
C50 Pd3 N11 C61 144.7(3) . . . . ?
N10 Pd3 N11 C61 145.7(4) . . . . ?
Cl3 Pd3 N11 C61 -36.6(4) . . . . ?
Br3 Pd3 N11 C61 -40.4(3) . . . . ?
C50 Pd3 N11 C59 22.1(3) . . . . ?
N10 Pd3 N11 C59 23.1(6) . . . . ?
Cl3 Pd3 N11 C59 -159.2(4) . . . . ?
Br3 Pd3 N11 C59 -163.0(3) . . . . ?
C62 Pd4 N12 C70 -95.4(3) . . . . ?
N13 Pd4 N12 C70 -89.3(5) . . . . ?
Cl4 Pd4 N12 C70 93.1(3) . . . . ?
Br4 Pd4 N12 C70 85.1(3) . . . . ?
C62 Pd4 N12 C69 145.2(3) . . . . ?
N13 Pd4 N12 C69 151.3(4) . . . . ?
Cl4 Pd4 N12 C69 -26.3(3) . . . . ?
Br4 Pd4 N12 C69 -34.3(3) . . . . ?
C62 Pd4 N12 C68 21.6(3) . . . . ?
N13 Pd4 N12 C68 27.7(6) . . . . ?
Cl4 Pd4 N12 C68 -149.9(3) . . . . ?
Br4 Pd4 N12 C68 -157.8(2) . . . . ?
C62 Pd4 N13 C73 144.3(3) . . . . ?
N12 Pd4 N13 C73 138.2(4) . . . . ?
Cl4 Pd4 N13 C73 -44.2(3) . . . . ?
Br4 Pd4 N13 C73 -36.3(3) . . . . ?
C62 Pd4 N13 C72 -95.3(3) . . . . ?
N12 Pd4 N13 C72 -101.4(5) . . . . ?
Cl4 Pd4 N13 C72 76.2(3) . . . . ?
Br4 Pd4 N13 C72 84.1(3) . . . . ?
C62 Pd4 N13 C71 21.7(3) . . . . ?
N12 Pd4 N13 C71 15.6(6) . . . . ?
Cl4 Pd4 N13 C71 -166.8(3) . . . . ?
Br4 Pd4 N13 C71 -158.9(2) . . . . ?
C4 N1 C1 C20 179.9(3) . . . . ?
Zn1 N1 C1 C20 -1.7(5) . . . . ?
C4 N1 C1 C2 1.5(4) . . . . ?
Zn1 N1 C1 C2 179.9(2) . . . . ?
N1 C1 C2 C3 -1.2(4) . . . . ?
C20 C1 C2 C3 -179.6(3) . . . . ?
C1 C2 C3 C4 0.4(4) . . . . ?
C1 N1 C4 C5 179.8(3) . . . . ?
Zn1 N1 C4 C5 1.4(5) . . . . ?
C1 N1 C4 C3 -1.2(4) . . . . ?
Zn1 N1 C4 C3 -179.6(2) . . . . ?
C2 C3 C4 N1 0.5(4) . . . . ?
C2 C3 C4 C5 179.5(3) . . . . ?
N1 C4 C5 C6 5.4(6) . . . . ?
C3 C4 C5 C6 -173.4(3) . . . . ?
N1 C4 C5 C29 179.9(3) . . . . ?
C3 C4 C5 C29 1.1(5) . . . . ?
C9 N2 C6 C5 168.8(3) . . . . ?
Zn1 N2 C6 C5 -15.9(5) . . . . ?
C9 N2 C6 C7 -4.0(4) . . . . ?
Zn1 N2 C6 C7 171.3(2) . . . . ?
C4 C5 C6 N2 2.2(6) . . . . ?
C29 C5 C6 N2 -172.2(3) . . . . ?
C4 C5 C6 C7 174.0(3) . . . . ?
C29 C5 C6 C7 -0.4(5) . . . . ?
N2 C6 C7 C8 2.7(4) . . . . ?
C5 C6 C7 C8 -170.2(3) . . . . ?
C6 C7 C8 C9 -0.3(4) . . . . ?
C6 N2 C9 C10 -172.4(3) . . . . ?
Zn1 N2 C9 C10 12.2(5) . . . . ?
C6 N2 C9 C8 3.8(4) . . . . ?
Zn1 N2 C9 C8 -171.5(2) . . . . ?
C7 C8 C9 N2 -2.2(4) . . . . ?
C7 C8 C9 C10 174.1(3) . . . . ?
N2 C9 C10 C11 -4.0(6) . . . . ?
C8 C9 C10 C11 -179.6(3) . . . . ?
N2 C9 C10 C41 167.7(3) . . . . ?
C8 C9 C10 C41 -7.9(5) . . . . ?
C14 N3 C11 C10 176.4(3) . . . . ?
Zn1 N3 C11 C10 -3.7(5) . . . . ?
C14 N3 C11 C12 -0.6(4) . . . . ?
Zn1 N3 C11 C12 179.3(2) . . . . ?
C9 C10 C11 N3 -0.6(6) . . . . ?
C41 C10 C11 N3 -172.2(3) . . . . ?
C9 C10 C11 C12 176.0(4) . . . . ?
C41 C10 C11 C12 4.3(5) . . . . ?
N3 C11 C12 C13 -0.3(4) . . . . ?
C10 C11 C12 C13 -177.3(3) . . . . ?
C11 C12 C13 C14 1.0(4) . . . . ?
C11 N3 C14 C15 -175.6(3) . . . . ?
Zn1 N3 C14 C15 4.5(5) . . . . ?
C11 N3 C14 C13 1.2(4) . . . . ?
Zn1 N3 C14 C13 -178.7(2) . . . . ?
C12 C13 C14 N3 -1.4(4) . . . . ?
C12 C13 C14 C15 175.5(3) . . . . ?
N3 C14 C15 C16 3.3(6) . . . . ?
C13 C14 C15 C16 -173.0(4) . . . . ?
N3 C14 C15 C53 177.9(3) . . . . ?
C13 C14 C15 C53 1.6(5) . . . . ?
C19 N4 C16 C15 175.5(3) . . . . ?
Zn1 N4 C16 C15 -18.5(5) . . . . ?
C19 N4 C16 C17 -0.8(4) . . . . ?
Zn1 N4 C16 C17 165.2(2) . . . . ?
C14 C15 C16 N4 4.2(6) . . . . ?
C53 C15 C16 N4 -170.5(3) . . . . ?
C14 C15 C16 C17 179.9(4) . . . . ?
C53 C15 C16 C17 5.2(5) . . . . ?
N4 C16 C17 C18 -0.7(4) . . . . ?
C15 C16 C17 C18 -176.9(4) . . . . ?
C16 C17 C18 C19 1.7(4) . . . . ?
C16 N4 C19 C20 -175.1(3) . . . . ?
Zn1 N4 C19 C20 18.8(5) . . . . ?
C16 N4 C19 C18 1.8(4) . . . . ?
Zn1 N4 C19 C18 -164.2(2) . . . . ?
C17 C18 C19 N4 -2.3(4) . . . . ?
C17 C18 C19 C20 174.7(4) . . . . ?
N4 C19 C20 C1 -1.4(6) . . . . ?
C18 C19 C20 C1 -177.8(4) . . . . ?
N4 C19 C20 C65 -179.5(3) . . . . ?
C18 C19 C20 C65 4.1(6) . . . . ?
N1 C1 C20 C19 -7.9(6) . . . . ?
C2 C1 C20 C19 170.3(4) . . . . ?
N1 C1 C20 C65 170.2(3) . . . . ?
C2 C1 C20 C65 -11.6(5) . . . . ?
C25 N5 C21 C22 0.6(6) . . . . ?
Zn1 N5 C21 C22 -175.9(3) . . . . ?
N5 C21 C22 C23 -0.6(7) . . . . ?
C21 C22 C23 C24 -0.2(7) . . . . ?
C22 C23 C24 C25 1.0(7) . . . . ?
C21 N5 C25 C24 0.2(6) . . . . ?
Zn1 N5 C25 C24 176.7(3) . . . . ?
C23 C24 C25 N5 -1.0(7) . . . . ?
N7 Pd1 C26 C31 10.9(3) . . . . ?
N6 Pd1 C26 C31 -170.8(3) . . . . ?
N7 Pd1 C26 C27 -167.5(4) . . . . ?
N6 Pd1 C26 C27 10.8(3) . . . . ?
C31 C26 C27 C28 0.6(7) . . . . ?
Pd1 C26 C27 C28 178.9(4) . . . . ?
C31 C26 C27 C32 -175.1(4) . . . . ?
Pd1 C26 C27 C32 3.3(6) . . . . ?
C26 C27 C28 C29 -1.4(7) . . . . ?
C32 C27 C28 C29 173.8(5) . . . . ?
C27 C28 C29 C30 -0.4(7) . . . . ?
C27 C28 C29 C5 179.7(4) . . . . ?
C4 C5 C29 C28 -88.7(5) . . . . ?
C6 C5 C29 C28 86.2(5) . . . . ?
C4 C5 C29 C30 91.4(4) . . . . ?
C6 C5 C29 C30 -93.7(4) . . . . ?
C28 C29 C30 C31 3.0(6) . . . . ?
C5 C29 C30 C31 -177.1(3) . . . . ?
C27 C26 C31 C30 2.0(6) . . . . ?
Pd1 C26 C31 C30 -176.3(3) . . . . ?
C27 C26 C31 C35 -176.7(4) . . . . ?
Pd1 C26 C31 C35 5.0(5) . . . . ?
C29 C30 C31 C26 -3.8(5) . . . . ?
C29 C30 C31 C35 174.7(4) . . . . ?
C26 C27 C32 N6 -21.4(7) . . . . ?
C28 C27 C32 N6 163.3(5) . . . . ?
C33 N6 C32 C27 -89.2(5) . . . . ?
C34 N6 C32 C27 153.2(5) . . . . ?
Pd1 N6 C32 C27 28.0(6) . . . . ?
C26 C31 C35 N7 -24.6(5) . . . . ?
C30 C31 C35 N7 156.8(4) . . . . ?
C37 N7 C35 C31 159.6(3) . . . . ?
C36 N7 C35 C31 -82.6(4) . . . . ?
Pd1 N7 C35 C31 31.4(4) . . . . ?
N8 Pd2 C38 C43 170.0(3) . . . . ?
N9 Pd2 C38 C43 -9.7(3) . . . . ?
N8 Pd2 C38 C39 -9.3(3) . . . . ?
N9 Pd2 C38 C39 171.1(3) . . . . ?
C43 C38 C39 C40 -1.7(6) . . . . ?
Pd2 C38 C39 C40 177.5(3) . . . . ?
C43 C38 C39 C44 174.9(4) . . . . ?
Pd2 C38 C39 C44 -5.9(5) . . . . ?
C38 C39 C40 C41 1.8(6) . . . . ?
C44 C39 C40 C41 -174.3(4) . . . . ?
C39 C40 C41 C42 0.0(6) . . . . ?
C39 C40 C41 C10 -179.5(4) . . . . ?
C9 C10 C41 C42 108.5(4) . . . . ?
C11 C10 C41 C42 -79.2(5) . . . . ?
C9 C10 C41 C40 -72.1(5) . . . . ?
C11 C10 C41 C40 100.2(4) . . . . ?
C40 C41 C42 C43 -1.9(6) . . . . ?
C10 C41 C42 C43 177.5(4) . . . . ?
C39 C38 C43 C42 -0.1(6) . . . . ?
Pd2 C38 C43 C42 -179.3(3) . . . . ?
C39 C38 C43 C47 176.9(4) . . . . ?
Pd2 C38 C43 C47 -2.3(5) . . . . ?
C41 C42 C43 C38 2.0(6) . . . . ?
C41 C42 C43 C47 -174.6(4) . . . . ?
C46 N8 C44 C39 86.2(4) . . . . ?
C45 N8 C44 C39 -155.9(4) . . . . ?
Pd2 N8 C44 C39 -29.7(4) . . . . ?
C40 C39 C44 N8 -159.4(4) . . . . ?
C38 C39 C44 N8 24.3(5) . . . . ?
C38 C43 C47 N9 18.5(5) . . . . ?
C42 C43 C47 N9 -164.7(4) . . . . ?
C48 N9 C47 C43 -151.0(4) . . . . ?
C49 N9 C47 C43 90.0(4) . . . . ?
Pd2 N9 C47 C43 -24.6(4) . . . . ?
N11 Pd3 C50 C51 167.7(3) . . . . ?
N10 Pd3 C50 C51 -12.0(3) . . . . ?
N11 Pd3 C50 C55 -8.8(3) . . . . ?
N10 Pd3 C50 C55 171.5(3) . . . . ?
C55 C50 C51 C52 0.3(6) . . . . ?
Pd3 C50 C51 C52 -176.0(3) . . . . ?
C55 C50 C51 C56 174.4(4) . . . . ?
Pd3 C50 C51 C56 -1.9(5) . . . . ?
C50 C51 C52 C53 1.8(6) . . . . ?
C56 C51 C52 C53 -171.5(4) . . . . ?
C51 C52 C53 C54 -2.0(6) . . . . ?
C51 C52 C53 C15 173.3(3) . . . . ?
C16 C15 C53 C54 98.8(4) . . . . ?
C14 C15 C53 C54 -76.3(4) . . . . ?
C16 C15 C53 C52 -76.6(4) . . . . ?
C14 C15 C53 C52 108.3(4) . . . . ?
C52 C53 C54 C55 0.0(5) . . . . ?
C15 C53 C54 C55 -175.4(3) . . . . ?
C53 C54 C55 C50 2.1(6) . . . . ?
C53 C54 C55 C59 -176.6(4) . . . . ?
C51 C50 C55 C54 -2.3(6) . . . . ?
Pd3 C50 C55 C54 174.1(3) . . . . ?
C51 C50 C55 C59 176.6(4) . . . . ?
Pd3 C50 C55 C59 -7.0(4) . . . . ?
C50 C51 C56 N10 21.0(5) . . . . ?
C52 C51 C56 N10 -165.4(4) . . . . ?
C57 N10 C56 C51 -155.2(4) . . . . ?
C58 N10 C56 C51 87.0(4) . . . . ?
Pd3 N10 C56 C51 -28.5(4) . . . . ?
C60 N11 C59 C55 85.8(4) . . . . ?
C61 N11 C59 C55 -156.4(3) . . . . ?
Pd3 N11 C59 C55 -30.4(4) . . . . ?
C54 C55 C59 N11 -156.0(4) . . . . ?
C50 C55 C59 N11 25.3(5) . . . . ?
N12 Pd4 C62 C63 -13.4(3) . . . . ?
N13 Pd4 C62 C63 168.4(3) . . . . ?
N12 Pd4 C62 C67 170.0(3) . . . . ?
N13 Pd4 C62 C67 -8.2(3) . . . . ?
C67 C62 C63 C64 1.6(6) . . . . ?
Pd4 C62 C63 C64 -174.9(3) . . . . ?
C67 C62 C63 C68 178.1(4) . . . . ?
Pd4 C62 C63 C68 1.7(5) . . . . ?
C62 C63 C64 C65 1.1(6) . . . . ?
C68 C63 C64 C65 -175.0(4) . . . . ?
C63 C64 C65 C66 -2.9(6) . . . . ?
C63 C64 C65 C20 176.9(4) . . . . ?
C19 C20 C65 C66 116.1(4) . . . . ?
C1 C20 C65 C66 -62.2(5) . . . . ?
C19 C20 C65 C64 -63.6(5) . . . . ?
C1 C20 C65 C64 118.1(4) . . . . ?
C64 C65 C66 C67 2.0(6) . . . . ?
C20 C65 C66 C67 -177.8(4) . . . . ?
C63 C62 C67 C66 -2.4(6) . . . . ?
Pd4 C62 C67 C66 174.0(3) . . . . ?
C63 C62 C67 C71 175.7(4) . . . . ?
Pd4 C62 C67 C71 -7.8(5) . . . . ?
C65 C66 C67 C62 0.6(6) . . . . ?
C65 C66 C67 C71 -177.3(4) . . . . ?
C62 C63 C68 N12 16.8(5) . . . . ?
C64 C63 C68 N12 -166.9(4) . . . . ?
C70 N12 C68 C63 89.4(4) . . . . ?
C69 N12 C68 C63 -152.9(4) . . . . ?
Pd4 N12 C68 C63 -25.7(4) . . . . ?
C73 N13 C71 C67 -156.1(3) . . . . ?
C72 N13 C71 C67 84.8(4) . . . . ?
Pd4 N13 C71 C67 -30.3(4) . . . . ?
C62 C67 C71 N13 26.0(5) . . . . ?
C66 C67 C71 N13 -156.0(4) . . . . ?
C79 C74 C75 C76 -0.3(7) . . . . ?
C80 C74 C75 C76 177.5(4) . . . . ?
C74 C75 C76 C77 0.0(7) . . . . ?
C75 C76 C77 C78 0.3(7) . . . . ?
C76 C77 C78 C79 -0.4(7) . . . . ?
C77 C78 C79 C74 0.1(7) . . . . ?
C75 C74 C79 C78 0.2(7) . . . . ?
C80 C74 C79 C78 -177.6(4) . . . . ?
C86 C81 C82 C83 0.00(3) . . . . ?
C87 C81 C82 C83 180.00(3) . . . . ?
C81 C82 C83 C84 -0.01(4) . . . . ?
C82 C83 C84 C85 0.02(8) . . . . ?
C83 C84 C85 C86 -0.02(10) . . . . ?
C84 C85 C86 C81 0.02(10) . . . . ?
C82 C81 C86 C85 0.00(7) . . . . ?
C87 C81 C86 C85 179.99(6) . . . . ?
C93 C88 C89 C90 -0.01(3) . . . . ?
C94 C88 C89 C90 180.00(3) . . . . ?
C88 C89 C90 C91 -0.01(3) . . . . ?
C89 C90 C91 C92 0.03(7) . . . . ?
C90 C91 C92 C93 -0.01(10) . . . . ?
C91 C92 C93 C88 -0.02(10) . . . . ?
C89 C88 C93 C92 0.03(7) . . . . ?
C94 C88 C93 C92 -179.98(6) . . . . ?
