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#$Date: 2016-03-23 22:14:35 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179473 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/70/4337059.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_4337059
loop_
_publ_author_name
'Antoine Béziau'
'Stéphane A. Baudron'
'Audrey Fluck'
'Mir Wais Hosseini'
_publ_contact_author
; Prof Mir Wais Hosseini
  Laboratoire de Tectonique Moléculaire, 
  UMR CNRS 7140, Université de Strasbourg,
  CS 90032
  F-67081 Strasbourg Cedex, France 
;
_publ_contact_author_email       hosseini@unistra.fr
_publ_contact_author_fax         '33 3 68 85 13 23'
_publ_contact_author_phone       '33 3 68 85 13 25'
_publ_section_title
;
 From Sequential to One-Pot Synthesis of Dipyrrin Based Grid-Type Mixed
 Metal-Organic Frameworks
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              14439
_journal_page_last               14448
_journal_paper_doi               10.1021/ic402892f
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C73 H53 Cd Cl5 N16 Pd2'
_chemical_formula_weight         1656.76
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           31
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   30.0402(11)
_cell_length_b                   8.9013(3)
_cell_length_c                   13.5698(5)
_cell_measurement_reflns_used    9859
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      29.08
_cell_measurement_theta_min      2.53
_cell_volume                     3628.5(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0360
_diffrn_reflns_av_sigmaI/netI    0.0583
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            30173
_diffrn_reflns_theta_full        30.09
_diffrn_reflns_theta_max         30.09
_diffrn_reflns_theta_min         1.36
_exptl_absorpt_coefficient_mu    1.018
_exptl_absorpt_correction_T_max  0.9604
_exptl_absorpt_correction_T_min  0.9050
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.516
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1656
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.04
_platon_squeeze_details
;
;
_refine_diff_density_max         3.104
_refine_diff_density_min         -1.922
_refine_diff_density_rms         0.176
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         9400
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0851
_refine_ls_R_factor_gt           0.0665
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1224P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1747
_refine_ls_wR_factor_ref         0.1839
_reflns_number_gt                7473
_reflns_number_total             9400
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic402892f_si_002_01.cif
_cod_data_source_block           M'MOF13
_cod_database_code               4337059
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y, z+1/2'
'-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
C1 C 0.1465(4) 0.1845(10) 0.3923(5) 0.051(2) Uani 1 1 d .
H1 H 0.1484 0.1812 0.3239 0.061 Uiso 1 1 calc R
C2 C 0.1057(3) 0.1845(10) 0.4450(6) 0.043(2) Uani 1 1 d .
H2 H 0.0772 0.1813 0.4184 0.052 Uiso 1 1 calc R
C3 C 0.1167(2) 0.1903(9) 0.5430(5) 0.0330(15) Uani 1 1 d .
H3 H 0.0969 0.1932 0.5957 0.040 Uiso 1 1 calc R
C4 C 0.1643(2) 0.1910(8) 0.5494(5) 0.0267(14) Uani 1 1 d .
C5 C 0.1913(2) 0.1655(7) 0.6318(5) 0.0239(13) Uani 1 1 d .
C6 C 0.2355(2) 0.1197(8) 0.6278(5) 0.0272(15) Uani 1 1 d .
C7 C 0.2597(3) 0.0465(9) 0.7013(5) 0.0359(18) Uani 1 1 d .
H7 H 0.2524 0.0377 0.7676 0.043 Uiso 1 1 calc R
C8 C 0.2975(3) -0.0108(10) 0.6540(6) 0.042(2) Uani 1 1 d .
H8 H 0.3198 -0.0681 0.6832 0.051 Uiso 1 1 calc R
C9 C 0.2959(2) 0.0327(8) 0.5562(6) 0.0353(16) Uani 1 1 d .
H9 H 0.3169 0.0071 0.5087 0.042 Uiso 1 1 calc R
C10 C 0.1696(2) 0.1717(8) 0.7285(4) 0.0241(14) Uani 1 1 d .
C11 C 0.1816(2) 0.2837(7) 0.7957(5) 0.0242(13) Uani 1 1 d .
H11 H 0.2045 0.3500 0.7805 0.029 Uiso 1 1 calc R
C12 C 0.1591(3) 0.2963(8) 0.8865(5) 0.0299(15) Uani 1 1 d .
H12 H 0.1663 0.3718 0.9311 0.036 Uiso 1 1 calc R
C13 C 0.1262(2) 0.1944(8) 0.9073(5) 0.0265(14) Uani 1 1 d .
C14 C 0.1159(2) 0.0793(9) 0.8480(6) 0.0329(16) Uani 1 1 d .
H14 H 0.0948 0.0085 0.8670 0.039 Uiso 1 1 calc R
C15 C 0.1377(3) 0.0671(8) 0.7560(6) 0.0361(17) Uani 1 1 d .
H15 H 0.1305 -0.0114 0.7136 0.043 Uiso 1 1 calc R
C16 C 0.0904(3) 0.0991(10) 1.0660(6) 0.0422(19) Uani 1 1 d .
H16 H 0.1013 0.0013 1.0670 0.051 Uiso 1 1 calc R
C17 C 0.0623(4) 0.1583(11) 1.1270(7) 0.060(3) Uani 1 1 d .
H17 H 0.0487 0.1068 1.1784 0.073 Uiso 1 1 calc R
C18 C 0.0784(2) 0.3312(8) 1.0254(5) 0.0287(14) Uani 1 1 d .
H18 H 0.0792 0.4207 0.9900 0.034 Uiso 1 1 calc R
C19 C 0.3423(3) 0.2944(9) 0.4576(6) 0.045(2) Uani 1 1 d .
H19 H 0.3391 0.2876 0.5256 0.055 Uiso 1 1 calc R
C20 C 0.3833(3) 0.3026(10) 0.4101(7) 0.0423(19) Uani 1 1 d .
H20 H 0.4113 0.3066 0.4388 0.051 Uiso 1 1 calc R
C21 C 0.3730(3) 0.3035(9) 0.3104(6) 0.0365(17) Uani 1 1 d .
H21 H 0.3936 0.3036 0.2592 0.044 Uiso 1 1 calc R
C22 C 0.3261(2) 0.3042(9) 0.2992(5) 0.0285(15) Uani 1 1 d .
C23 C 0.3006(2) 0.3303(7) 0.2150(5) 0.0260(14) Uani 1 1 d .
C24 C 0.2559(2) 0.3661(8) 0.2150(5) 0.0293(15) Uani 1 1 d .
C25 C 0.2306(3) 0.4330(11) 0.1390(6) 0.051(2) Uani 1 1 d .
H25 H 0.2397 0.4436 0.0738 0.061 Uiso 1 1 calc R
C26 C 0.1914(4) 0.4788(15) 0.1759(11) 0.086(4) Uani 1 1 d .
H26 H 0.1689 0.5308 0.1435 0.103 Uiso 1 1 calc R
C27 C 0.1919(3) 0.4291(12) 0.2775(7) 0.059(3) Uani 1 1 d .
H27 H 0.1688 0.4430 0.3221 0.071 Uiso 1 1 calc R
C28 C 0.3241(2) 0.3301(8) 0.1183(4) 0.0259(14) Uani 1 1 d .
C29 C 0.3116(3) 0.2271(8) 0.0459(6) 0.0341(17) Uani 1 1 d .
H29 H 0.2876 0.1631 0.0560 0.041 Uiso 1 1 calc R
C30 C 0.3353(3) 0.2217(9) -0.0397(6) 0.0375(18) Uani 1 1 d .
H30 H 0.3278 0.1505 -0.0871 0.045 Uiso 1 1 calc R
C31 C 0.3714(2) 0.3231(8) -0.0586(4) 0.0289(15) Uani 1 1 d .
C32 C 0.3824(3) 0.4253(9) 0.0125(5) 0.0367(18) Uani 1 1 d .
H32 H 0.4063 0.4901 0.0029 0.044 Uiso 1 1 calc R
C33 C 0.3577(3) 0.4322(8) 0.0990(5) 0.0293(15) Uani 1 1 d .
H33 H 0.3639 0.5069 0.1449 0.035 Uiso 1 1 calc R
C34 C 0.3963(4) 0.2076(13) -0.2201(6) 0.0650(19) Uani 1 1 d .
H34 H 0.3796 0.1197 -0.2211 0.078 Uiso 1 1 calc R
C35 C 0.4264(4) 0.2534(11) -0.2899(7) 0.0650(19) Uani 1 1 d .
H35 H 0.4334 0.2006 -0.3470 0.078 Uiso 1 1 calc R
C36 C 0.4236(4) 0.4188(12) -0.1774(7) 0.0650(19) Uani 1 1 d .
H36 H 0.4292 0.5069 -0.1427 0.078 Uiso 1 1 calc R
N1 N 0.18128(19) 0.1898(8) 0.4508(4) 0.0318(13) Uani 1 1 d .
N2 N 0.26037(19) 0.1156(7) 0.5401(4) 0.0307(13) Uani 1 1 d .
N3 N 0.10092(19) 0.2107(7) 0.9989(4) 0.0276(13) Uani 1 1 d .
N4 N 0.0549(2) 0.3144(8) 1.1048(4) 0.0348(14) Uani 1 1 d .
N5 N 0.2292(2) 0.3626(7) 0.2976(4) 0.0357(15) Uani 1 1 d .
N6 N 0.3086(2) 0.2974(8) 0.3952(4) 0.0308(13) Uani 1 1 d .
N7 N 0.3955(2) 0.3170(8) -0.1483(4) 0.0323(14) Uani 1 1 d .
N8 N 0.4441(2) 0.3830(7) -0.2641(4) 0.0338(14) Uani 1 1 d .
Cl1 Cl 0.0000 0.2963(4) 1.32958(17) 0.0367(6) Uani 1 2 d S
Cl2 Cl 0.0000 0.6343(3) 1.01162(17) 0.0334(5) Uani 1 2 d S
Pd2 Pd 0.244997(18) 0.24206(6) 0.42119(6) 0.03068(15) Uani 1 1 d .
Cd1 Cd 0.0000 0.46704(8) 1.17019(4) 0.02279(17) Uani 1 2 d S
C37 C 0.0000 0.439(2) 1.6939(12) 0.079(6) Uani 1 2 d S
H37 H 0.0000 0.5487 1.6980 0.095 Uiso 1 2 calc SR
Cl3 Cl 0.04806(8) 0.3860(4) 1.7540(2) 0.0734(8) Uani 1 1 d .
Cl4 Cl 0.0000 0.3998(16) 1.5618(6) 0.185(5) Uani 1 2 d S
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'
Cl Cl 0.1484 0.1585 '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'
Cd Cd -0.8075 1.2024 '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
N1 C1 C2 112.5(7) . .
N1 C1 H1 123.7 . .
C2 C1 H1 123.7 . .
C3 C2 C1 106.2(7) . .
C3 C2 H2 126.9 . .
C1 C2 H2 126.9 . .
C2 C3 C4 107.4(7) . .
C2 C3 H3 126.3 . .
C4 C3 H3 126.3 . .
C5 C4 N1 122.7(6) . .
C5 C4 C3 128.7(6) . .
N1 C4 C3 107.4(6) . .
C6 C5 C4 124.7(6) . .
C6 C5 C10 118.0(6) . .
C4 C5 C10 116.9(5) . .
C5 C6 C7 127.4(6) . .
C5 C6 N2 123.2(6) . .
C7 C6 N2 108.3(6) . .
C6 C7 C8 105.4(6) . .
C6 C7 H7 127.3 . .
C8 C7 H7 127.3 . .
C9 C8 C7 108.0(7) . .
C9 C8 H8 126.0 . .
C7 C8 H8 126.0 . .
N2 C9 C8 110.2(7) . .
N2 C9 H9 124.9 . .
C8 C9 H9 124.9 . .
C15 C10 C11 118.7(6) . .
C15 C10 C5 121.5(6) . .
C11 C10 C5 119.8(6) . .
C10 C11 C12 120.2(6) . .
C10 C11 H11 119.9 . .
C12 C11 H11 119.9 . .
C13 C12 C11 118.2(7) . .
C13 C12 H12 120.9 . .
C11 C12 H12 120.9 . .
C14 C13 C12 123.3(6) . .
C14 C13 N3 117.9(6) . .
C12 C13 N3 118.8(6) . .
C13 C14 C15 118.9(7) . .
C13 C14 H14 120.6 . .
C15 C14 H14 120.6 . .
C10 C15 C14 120.4(7) . .
C10 C15 H15 119.8 . .
C14 C15 H15 119.8 . .
C17 C16 N3 106.0(7) . .
C17 C16 H16 127.0 . .
N3 C16 H16 127.0 . .
C16 C17 N4 111.1(7) . .
C16 C17 H17 124.4 . .
N4 C17 H17 124.4 . .
N4 C18 N3 114.3(6) . .
N4 C18 H18 122.9 . .
N3 C18 H18 122.9 . .
N6 C19 C20 112.3(7) . .
N6 C19 H19 123.8 . .
C20 C19 H19 123.8 . .
C21 C20 C19 104.8(7) . .
C21 C20 H20 127.6 . .
C19 C20 H20 127.6 . .
C20 C21 C22 108.9(7) . .
C20 C21 H21 125.5 . .
C22 C21 H21 125.5 . .
C23 C22 N6 124.2(6) . .
C23 C22 C21 129.3(6) . .
N6 C22 C21 105.8(6) . .
C24 C23 C22 124.9(6) . .
C24 C23 C28 117.5(6) . .
C22 C23 C28 117.5(6) . .
N5 C24 C23 124.1(7) . .
N5 C24 C25 107.0(6) . .
C23 C24 C25 128.3(6) . .
C26 C25 C24 109.0(8) . .
C26 C25 H25 125.5 . .
C24 C25 H25 125.5 . .
C25 C26 C27 104.5(8) . .
C25 C26 H26 127.7 . .
C27 C26 H26 127.7 . .
N5 C27 C26 110.6(7) . .
N5 C27 H27 124.7 . .
C26 C27 H27 124.7 . .
C33 C28 C29 119.6(6) . .
C33 C28 C23 120.8(6) . .
C29 C28 C23 119.6(6) . .
C30 C29 C28 119.0(6) . .
C30 C29 H29 120.5 . .
C28 C29 H29 120.5 . .
C29 C30 C31 121.6(7) . .
C29 C30 H30 119.2 . .
C31 C30 H30 119.2 . .
C32 C31 N7 120.6(6) . .
C32 C31 C30 118.4(6) . .
N7 C31 C30 121.1(6) . .
C31 C32 C33 119.8(6) . .
C31 C32 H32 120.1 . .
C33 C32 H32 120.1 . .
C28 C33 C32 121.4(7) . .
C28 C33 H33 119.3 . .
C32 C33 H33 119.3 . .
C35 C34 N7 106.8(8) . .
C35 C34 H34 126.6 . .
N7 C34 H34 126.6 . .
N8 C35 C34 110.1(8) . .
N8 C35 H35 124.9 . .
C34 C35 H35 124.9 . .
N7 C36 N8 113.1(7) . .
N7 C36 H36 123.5 . .
N8 C36 H36 123.5 . .
C1 N1 C4 106.4(6) . .
C1 N1 Pd2 130.2(5) . .
C4 N1 Pd2 121.6(5) . .
C9 N2 C6 107.8(6) . .
C9 N2 Pd2 129.1(5) . .
C6 N2 Pd2 122.7(4) . .
C18 N3 C16 106.7(6) . .
C18 N3 C13 125.3(6) . .
C16 N3 C13 127.2(6) . .
C18 N4 C17 101.6(6) . .
C18 N4 Cd1 129.6(5) . .
C17 N4 Cd1 126.7(5) . .
C27 N5 C24 108.7(6) . .
C27 N5 Pd2 127.8(5) . .
C24 N5 Pd2 122.9(5) . .
C19 N6 C22 108.0(6) . .
C19 N6 Pd2 127.9(5) . .
C22 N6 Pd2 121.9(5) . .
C36 N7 C34 105.5(6) . .
C36 N7 C31 124.5(6) . .
C34 N7 C31 130.0(7) . .
C35 N8 C36 104.5(7) . .
C35 N8 Cd1 133.9(5) . 2_563
C36 N8 Cd1 121.5(5) . 2_563
N6 Pd2 N1 178.4(3) . .
N6 Pd2 N2 93.4(2) . .
N1 Pd2 N2 85.9(2) . .
N6 Pd2 N5 87.0(3) . .
N1 Pd2 N5 93.7(2) . .
N2 Pd2 N5 177.8(3) . .
N4 Cd1 N4 91.0(3) 4 .
N4 Cd1 N8 179.1(3) 4 2_566
N4 Cd1 N8 88.2(2) . 2_566
N4 Cd1 N8 88.2(2) 4 3_466
N4 Cd1 N8 179.1(3) . 3_466
N8 Cd1 N8 92.6(3) 2_566 3_466
N4 Cd1 Cl2 91.09(16) 4 .
N4 Cd1 Cl2 91.09(16) . .
N8 Cd1 Cl2 89.34(16) 2_566 .
N8 Cd1 Cl2 89.34(16) 3_466 .
N4 Cd1 Cl1 88.63(16) 4 .
N4 Cd1 Cl1 88.63(16) . .
N8 Cd1 Cl1 90.94(16) 2_566 .
N8 Cd1 Cl1 90.94(16) 3_466 .
Cl2 Cd1 Cl1 179.59(10) . .
Cl3 C37 Cl3 113.8(7) . 4
Cl3 C37 Cl4 114.4(8) . .
Cl3 C37 Cl4 114.4(8) 4 .
Cl3 C37 H37 104.2 . .
Cl3 C37 H37 104.2 4 .
Cl4 C37 H37 104.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.312(11) .
C1 C2 1.420(13) .
C1 H1 0.9300 .
C2 C3 1.372(11) .
C2 H2 0.9300 .
C3 C4 1.434(10) .
C3 H3 0.9300 .
C4 C5 1.399(10) .
C4 N1 1.432(8) .
C5 C6 1.390(9) .
C5 C10 1.466(8) .
C6 C7 1.396(10) .
C6 N2 1.406(8) .
C7 C8 1.400(11) .
C7 H7 0.9300 .
C8 C9 1.383(11) .
C8 H8 0.9300 .
C9 N2 1.316(9) .
C9 H9 0.9300 .
C10 C15 1.388(10) .
C10 C11 1.399(10) .
C11 C12 1.410(9) .
C11 H11 0.9300 .
C12 C13 1.371(11) .
C12 H12 0.9300 .
C13 C14 1.339(11) .
C13 N3 1.464(8) .
C14 C15 1.413(10) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 C17 1.295(11) .
C16 N3 1.384(9) .
C16 H16 0.9300 .
C17 N4 1.439(12) .
C17 H17 0.9300 .
C18 N4 1.297(9) .
C18 N3 1.319(9) .
C18 H18 0.9300 .
C19 N6 1.319(11) .
C19 C20 1.390(13) .
C19 H19 0.9300 .
C20 C21 1.388(12) .
C20 H20 0.9300 .
C21 C22 1.418(11) .
C21 H21 0.9300 .
C22 C23 1.396(10) .
C22 N6 1.405(8) .
C23 C24 1.380(10) .
C23 C28 1.490(8) .
C24 N5 1.379(9) .
C24 C25 1.412(12) .
C25 C26 1.346(13) .
C25 H25 0.9300 .
C26 C27 1.448(14) .
C26 H26 0.9300 .
C27 N5 1.295(11) .
C27 H27 0.9300 .
C28 C33 1.384(10) .
C28 C29 1.394(10) .
C29 C30 1.363(11) .
C29 H29 0.9300 .
C30 C31 1.435(10) .
C30 H30 0.9300 .
C31 C32 1.366(10) .
C31 N7 1.417(8) .
C32 C33 1.390(10) .
C32 H32 0.9300 .
C33 H33 0.9300 .
C34 C35 1.372(12) .
C34 N7 1.378(11) .
C34 H34 0.9300 .
C35 N8 1.318(11) .
C35 H35 0.9300 .
C36 N7 1.300(11) .
C36 N8 1.366(10) .
C36 H36 0.9300 .
N1 Pd2 2.010(6) .
N2 Pd2 2.021(5) .
N4 Cd1 2.314(6) .
N5 Pd2 2.046(6) .
N6 Pd2 2.006(6) .
N8 Cd1 2.322(6) 2_563
Cl1 Cd1 2.643(3) .
Cl2 Cd1 2.617(2) .
Cd1 N4 2.314(6) 4
Cd1 N8 2.322(6) 2_566
Cd1 N8 2.322(6) 3_466
C37 Cl3 1.724(7) .
C37 Cl3 1.724(7) 4
C37 Cl4 1.826(19) .
C37 H37 0.9800 .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 -0.077 -0.352 209 99 ' '
2 0.500 0.077 0.148 209 98 ' '
