#------------------------------------------------------------------------------
#$Date: 2016-03-26 19:32:58 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180439 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/08/7210800.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_7210800
loop_
_publ_author_name
'Das, Lakshmi Kanta'
'Ghosh, Ashutosh'
_publ_section_title
;
 Structural diversity in the complexes based on a hetero-trimetallic Cu2Cd
 node and dicyanamide spacer: a hexanuclear cluster, a 1D stair polymer
 and a 1D zigzag chain as supramolecular isomers, and a 3D network
;
_journal_issue                   45
_journal_name_full               CrystEngComm
_journal_page_first              9444
_journal_paper_doi               10.1039/c3ce40382c
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C72 H64 Cd2 Cl2 Cu4 N14 O16'
_chemical_formula_weight         1931.24
_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     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                101.448(5)
_cell_angle_beta                 98.822(5)
_cell_angle_gamma                107.349(5)
_cell_formula_units_Z            1
_cell_length_a                   8.890(5)
_cell_length_b                   13.226(5)
_cell_length_c                   17.248(5)
_cell_measurement_reflns_used    13027
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.24
_cell_volume                     1847.6(14)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WINGX V1.80.03'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_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  0.0347
_diffrn_reflns_av_sigmaI/netI    0.0515
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            13027
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.24
_exptl_absorpt_coefficient_mu    1.846
_exptl_absorpt_correction_T_max  0.7005
_exptl_absorpt_correction_T_min  0.5144
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.736
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Rectangular
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.16
_refine_diff_density_max         3.623
_refine_diff_density_min         -1.244
_refine_diff_density_rms         0.231
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     524
_refine_ls_number_reflns         6283
_refine_ls_number_restraints     25
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.1187
_refine_ls_R_factor_gt           0.1133
_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)+(0.0553P)²+104.0178P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3239
_refine_ls_wR_factor_ref         0.3255
_reflns_number_gt                5631
_reflns_number_total             6283
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40382c.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'EMPIRICAL'
changed to 'empirical' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_database_code               7210800
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
Cd1 Cd 0.19801(15) 0.35503(10) 0.86697(7) 0.0362(4) Uani 1 1 d . . .
Cu1 Cu 0.1461(3) 0.3429(2) 0.67317(13) 0.0485(6) Uani 1 1 d . A .
Cu2 Cu 0.4624(3) 0.23808(19) 0.81714(13) 0.0443(6) Uani 1 1 d . A .
O11 O 0.1048(16) 0.4302(10) 0.7662(7) 0.046(3) Uani 1 1 d . . .
C12 C 0.093(2) 0.5300(16) 0.7779(11) 0.047(4) Uani 1 1 d . . .
C13 C 0.045(3) 0.5734(17) 0.8480(13) 0.055(5) Uani 1 1 d . . .
H13 H 0.0142 0.5303 0.8832 0.066 Uiso 1 1 calc R . .
C14 C 0.045(3) 0.680(2) 0.8641(13) 0.068(7) Uani 1 1 d . . .
H14 H 0.0195 0.7092 0.9120 0.082 Uiso 1 1 calc R . .
C15 C 0.082(3) 0.7449(18) 0.8119(14) 0.068(6) Uani 1 1 d . . .
H15 H 0.0725 0.8142 0.8214 0.082 Uiso 1 1 calc R . .
C16 C 0.134(3) 0.704(2) 0.7443(16) 0.075(7) Uani 1 1 d . . .
H16 H 0.1710 0.7492 0.7114 0.090 Uiso 1 1 calc R . .
C17 C 0.131(3) 0.5934(17) 0.7247(14) 0.059(5) Uani 1 1 d . . .
C18 C 0.183(3) 0.558(2) 0.6528(14) 0.076(7) Uani 1 1 d . A .
H18 H 0.2131 0.6111 0.6245 0.091 Uiso 1 1 calc R . .
N19 N 0.195(3) 0.4645(16) 0.6209(10) 0.072(6) Uani 1 1 d D . .
C20A C 0.245(6) 0.462(4) 0.5458(19) 0.17(2) Uani 0.40(7) 1 d PD A 1
H20A H 0.3064 0.5359 0.5461 0.201 Uiso 0.40(7) 1 calc PR A 1
H20B H 0.1492 0.4365 0.5021 0.201 Uiso 0.40(7) 1 calc PR A 1
C21A C 0.348(7) 0.390(3) 0.526(4) 0.07(2) Uiso 0.40(7) 1 d PD A 1
H21A H 0.4539 0.4257 0.5617 0.081 Uiso 0.40(7) 1 calc PR A 1
H21B H 0.3614 0.3890 0.4709 0.081 Uiso 0.40(7) 1 calc PR A 1
C22A C 0.289(3) 0.270(3) 0.5307(13) 0.094(10) Uani 0.40(7) 1 d PD A 1
H22A H 0.2179 0.2267 0.4788 0.113 Uiso 0.40(7) 1 calc PR A 1
H22B H 0.3833 0.2470 0.5362 0.113 Uiso 0.40(7) 1 calc PR A 1
C20B C 0.245(6) 0.462(4) 0.5458(19) 0.17(2) Uani 0.60(7) 1 d PD A 2
H20C H 0.3565 0.5102 0.5570 0.201 Uiso 0.60(7) 1 calc PR A 2
H20D H 0.1793 0.4897 0.5117 0.201 Uiso 0.60(7) 1 calc PR A 2
C21B C 0.234(6) 0.348(4) 0.499(3) 0.072(15) Uiso 0.60(7) 1 d P A 2
H21C H 0.1205 0.3104 0.4731 0.087 Uiso 0.60(7) 1 calc PR A 2
H21D H 0.2886 0.3603 0.4549 0.087 Uiso 0.60(7) 1 calc PR A 2
C22B C 0.289(3) 0.270(3) 0.5307(13) 0.094(10) Uani 0.60(7) 1 d PD A 2
H22C H 0.4052 0.3015 0.5532 0.113 Uiso 0.60(7) 1 calc PR A 2
H22D H 0.2686 0.2052 0.4874 0.113 Uiso 0.60(7) 1 calc PR A 2
N23 N 0.207(2) 0.2412(16) 0.5928(10) 0.060(5) Uani 1 1 d D . .
C24 C 0.169(3) 0.138(2) 0.5917(12) 0.059(6) Uani 1 1 d . A .
H24 H 0.1961 0.0952 0.5502 0.071 Uiso 1 1 calc R . .
C25 C 0.090(3) 0.0785(18) 0.6448(13) 0.062(6) Uani 1 1 d . . .
C26 C 0.052(4) -0.036(2) 0.6232(17) 0.085(8) Uani 1 1 d . A .
H26 H 0.0805 -0.0704 0.5781 0.102 Uiso 1 1 calc R . .
C27 C -0.027(4) -0.0954(19) 0.6699(14) 0.076(8) Uani 1 1 d . . .
H27 H -0.0601 -0.1715 0.6538 0.092 Uiso 1 1 calc R A .
C28 C -0.060(3) -0.0442(17) 0.7424(13) 0.071(7) Uani 1 1 d . A .
H28 H -0.1129 -0.0853 0.7743 0.086 Uiso 1 1 calc R . .
C29 C -0.011(3) 0.0693(17) 0.7641(13) 0.055(5) Uani 1 1 d . . .
H29 H -0.0251 0.1053 0.8131 0.066 Uiso 1 1 calc R A .
C30 C 0.058(2) 0.1292(15) 0.7148(12) 0.045(4) Uani 1 1 d . A .
O31 O 0.0985(17) 0.2395(11) 0.7387(8) 0.055(3) Uani 1 1 d . . .
O41 O 0.4365(15) 0.3784(11) 0.8230(9) 0.052(3) Uani 1 1 d . . .
C42 C 0.512(2) 0.4615(19) 0.7928(13) 0.053(5) Uani 1 1 d . A .
C43 C 0.500(3) 0.5603(17) 0.8156(14) 0.068(7) Uani 1 1 d . . .
H43 H 0.4477 0.5737 0.8574 0.082 Uiso 1 1 calc R A .
C44 C 0.563(3) 0.646(2) 0.7794(17) 0.082(8) Uani 1 1 d . A .
H44 H 0.5400 0.7107 0.7911 0.098 Uiso 1 1 calc R . .
C45 C 0.658(4) 0.630(2) 0.7267(18) 0.092(9) Uani 1 1 d . . .
H45 H 0.7027 0.6853 0.7027 0.110 Uiso 1 1 calc R A .
C46 C 0.689(3) 0.533(2) 0.7084(16) 0.078(7) Uani 1 1 d . A .
H46 H 0.7615 0.5265 0.6758 0.093 Uiso 1 1 calc R . .
C47 C 0.613(2) 0.4448(18) 0.7382(11) 0.053(5) Uani 1 1 d . . .
C48 C 0.654(3) 0.351(2) 0.7185(13) 0.068(7) Uani 1 1 d . A .
H48 H 0.7259 0.3526 0.6845 0.082 Uiso 1 1 calc R . .
N49 N 0.606(2) 0.2612(17) 0.7410(10) 0.057(4) Uani 1 1 d . . .
C50 C 0.677(3) 0.178(2) 0.7129(15) 0.078(8) Uani 1 1 d . A .
H50A H 0.7524 0.1734 0.7580 0.094 Uiso 1 1 calc R . .
H50B H 0.7346 0.1970 0.6718 0.094 Uiso 1 1 calc R . .
C51 C 0.545(4) 0.071(2) 0.6788(17) 0.094(9) Uani 1 1 d . . .
H51A H 0.5831 0.0230 0.6425 0.112 Uiso 1 1 calc R A .
H51B H 0.4549 0.0822 0.6465 0.112 Uiso 1 1 calc R . .
C52 C 0.485(4) 0.014(2) 0.7410(17) 0.095(10) Uani 1 1 d . A .
H52A H 0.3912 -0.0506 0.7133 0.113 Uiso 1 1 calc R . .
H52B H 0.5683 -0.0111 0.7653 0.113 Uiso 1 1 calc R . .
N53 N 0.439(2) 0.0803(15) 0.8067(12) 0.068(5) Uani 1 1 d . . .
C54 C 0.390(3) 0.0296(18) 0.8599(15) 0.064(6) Uani 1 1 d . A .
H54 H 0.3951 -0.0407 0.8541 0.076 Uiso 1 1 calc R . .
C55 C 0.327(2) 0.0729(17) 0.9290(13) 0.055(5) Uani 1 1 d . . .
C56 C 0.292(3) 0.0028(19) 0.9805(16) 0.071(6) Uani 1 1 d . A .
H56 H 0.3112 -0.0634 0.9698 0.085 Uiso 1 1 calc R . .
C57 C 0.230(3) 0.032(2) 1.0462(17) 0.081(8) Uani 1 1 d . . .
H57 H 0.2075 -0.0143 1.0805 0.097 Uiso 1 1 calc R A .
C58 C 0.202(3) 0.134(2) 1.0605(14) 0.074(7) Uani 1 1 d . A .
H58 H 0.1603 0.1547 1.1049 0.089 Uiso 1 1 calc R . .
C59 C 0.234(3) 0.1998(18) 1.0114(12) 0.058(5) Uani 1 1 d . . .
H59 H 0.2143 0.2659 1.0221 0.069 Uiso 1 1 calc R A .
C60 C 0.298(2) 0.1699(16) 0.9418(12) 0.048(4) Uani 1 1 d . A .
O61 O 0.3236(15) 0.2345(10) 0.8956(8) 0.046(3) Uani 1 1 d . . .
N1 N -0.037(2) 0.2988(15) 0.9103(11) 0.059(4) Uani 1 1 d . . .
C2 C -0.153(2) 0.3185(15) 0.9233(11) 0.043(4) Uani 1 1 d . A .
N3 N -0.2826(19) 0.3309(15) 0.9367(12) 0.062(5) Uani 1 1 d . . .
C4 C -0.283(2) 0.4211(17) 0.9840(11) 0.047(5) Uani 1 1 d . A .
N5 N -0.290(2) 0.4977(16) 1.0226(12) 0.065(5) Uani 1 1 d . . .
Cl7 Cl 0.7397(11) 0.2272(6) 0.5016(4) 0.094(2) Uani 1 1 d D . .
O71 O 0.781(4) 0.2252(17) 0.4222(10) 0.172(14) Uani 1 1 d D . .
O72 O 0.592(5) 0.136(4) 0.494(2) 0.15(4) Uani 0.46(9) 1 d PD . .
O73 O 0.871(4) 0.224(7) 0.560(2) 0.22(7) Uani 0.46(9) 1 d PD . .
O74 O 0.707(10) 0.330(3) 0.530(3) 0.12(4) Uani 0.46(9) 1 d PD . .
O75 O 0.839(6) 0.330(3) 0.5600(18) 0.14(3) Uani 0.54(9) 1 d PD . .
O76 O 0.775(8) 0.136(4) 0.529(3) 0.17(4) Uani 0.54(9) 1 d PD . .
O77 O 0.569(3) 0.210(6) 0.494(3) 0.22(4) Uani 0.54(9) 1 d PD . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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
N5 Cd1 O61 106.5(6) 2_567 .
N5 Cd1 N1 88.2(7) 2_567 .
O61 Cd1 N1 103.1(6) . .
N5 Cd1 O31 165.5(6) 2_567 .
O61 Cd1 O31 86.3(5) . .
N1 Cd1 O31 95.7(6) . .
N5 Cd1 O41 98.2(6) 2_567 .
O61 Cd1 O41 66.6(5) . .
N1 Cd1 O41 169.0(6) . .
O31 Cd1 O41 80.3(5) . .
N5 Cd1 O11 101.5(6) 2_567 .
O61 Cd1 O11 145.2(4) . .
N1 Cd1 O11 97.9(6) . .
O31 Cd1 O11 64.1(5) . .
O41 Cd1 O11 89.6(5) . .
N5 Cd1 Cu1 130.6(6) 2_567 .
O61 Cd1 Cu1 109.6(3) . .
N1 Cd1 Cu1 114.5(5) . .
O31 Cd1 Cu1 35.5(3) . .
O41 Cd1 Cu1 67.7(4) . .
O11 Cd1 Cu1 35.7(3) . .
O31 Cu1 O11 78.7(5) . .
O31 Cu1 N19 171.4(7) . .
O11 Cu1 N19 92.8(7) . .
O31 Cu1 N23 92.5(7) . .
O11 Cu1 N23 169.2(7) . .
N19 Cu1 N23 95.8(8) . .
O31 Cu1 Cd1 43.6(4) . .
O11 Cu1 Cd1 44.7(4) . .
N19 Cu1 Cd1 128.4(5) . .
N23 Cu1 Cd1 124.5(6) . .
O41 Cu2 O61 81.1(5) . .
O41 Cu2 N49 92.0(7) . .
O61 Cu2 N49 172.9(7) . .
O41 Cu2 N53 168.2(7) . .
O61 Cu2 N53 91.4(7) . .
N49 Cu2 N53 95.7(8) . .
C12 O11 Cu1 129.4(11) . .
C12 O11 Cd1 125.9(11) . .
Cu1 O11 Cd1 99.6(5) . .
O11 C12 C17 121.6(18) . .
O11 C12 C13 119.3(17) . .
C17 C12 C13 119.0(19) . .
C14 C13 C12 119.8(19) . .
C15 C14 C13 122(2) . .
C14 C15 C16 118(2) . .
C15 C16 C17 121(2) . .
C12 C17 C16 120(2) . .
C12 C17 C18 124(2) . .
C16 C17 C18 117(2) . .
N19 C18 C17 130(2) . .
C18 N19 C20B 113(2) . .
C18 N19 C20A 113(2) . .
C20B N19 C20A 0.0(9) . .
C18 N19 Cu1 121.6(15) . .
C20B N19 Cu1 126(2) . .
C20A N19 Cu1 126(2) . .
N19 C20A C21A 117(4) . .
C20A C21A C22A 119(4) . .
N23 C22A C21A 120(3) . .
N19 C20B C21B 115(3) . .
C22B C21B C20B 127(3) . .
C21B C22B N23 110(3) . .
C24 N23 C22B 114(2) . .
C24 N23 C22A 114(2) . .
C22B N23 C22A 0.0(9) . .
C24 N23 Cu1 120.3(13) . .
C22B N23 Cu1 125.5(18) . .
C22A N23 Cu1 125.5(18) . .
N23 C24 C25 130.4(18) . .
C30 C25 C26 120(3) . .
C30 C25 C24 123(2) . .
C26 C25 C24 116(2) . .
C27 C26 C25 118(2) . .
C26 C27 C28 122(2) . .
C29 C28 C27 118(2) . .
C30 C29 C28 121(2) . .
O31 C30 C29 117.8(17) . .
O31 C30 C25 122(2) . .
C29 C30 C25 120.6(19) . .
C30 O31 Cu1 127.7(12) . .
C30 O31 Cd1 129.4(12) . .
Cu1 O31 Cd1 100.9(6) . .
C42 O41 Cu2 130.3(12) . .
C42 O41 Cd1 126.1(12) . .
Cu2 O41 Cd1 102.0(6) . .
C43 C42 O41 121.4(18) . .
C43 C42 C47 119.0(19) . .
O41 C42 C47 119(2) . .
C42 C43 C44 123(2) . .
C45 C44 C43 118(3) . .
C44 C45 C46 121(3) . .
C45 C46 C47 121(2) . .
C48 C47 C46 118(2) . .
C48 C47 C42 125(2) . .
C46 C47 C42 117(2) . .
N49 C48 C47 129(2) . .
C48 N49 C50 116.0(19) . .
C48 N49 Cu2 124.1(15) . .
C50 N49 Cu2 119.6(16) . .
N49 C50 C51 109(2) . .
C50 C51 C52 115(2) . .
N53 C52 C51 116(2) . .
C54 N53 C52 114(2) . .
C54 N53 Cu2 122.2(15) . .
C52 N53 Cu2 123.4(18) . .
N53 C54 C55 126(2) . .
C60 C55 C56 121(2) . .
C60 C55 C54 124(2) . .
C56 C55 C54 114(2) . .
C57 C56 C55 121(2) . .
C56 C57 C58 118(2) . .
C59 C58 C57 121(2) . .
C58 C59 C60 121(2) . .
O61 C60 C55 123.8(19) . .
O61 C60 C59 118.6(18) . .
C55 C60 C59 117.7(19) . .
C60 O61 Cu2 127.2(12) . .
C60 O61 Cd1 130.6(12) . .
Cu2 O61 Cd1 101.7(5) . .
C2 N1 Cd1 146.3(16) . .
N1 C2 N3 175(2) . .
C2 N3 C4 121.6(18) . .
N5 C4 N3 177(2) . .
C4 N5 Cd1 152.8(17) . 2_567
O77 Cl7 O75 111.6(15) . .
O73 Cl7 O72 110.7(15) . .
O75 Cl7 O72 138.5(19) . .
O73 Cl7 O71 111.0(14) . .
O77 Cl7 O71 110.1(15) . .
O75 Cl7 O71 110.1(13) . .
O72 Cl7 O71 110.1(14) . .
O73 Cl7 O74 109.3(16) . .
O72 Cl7 O74 107.8(14) . .
O71 Cl7 O74 107.9(13) . .
O77 Cl7 O76 108.7(15) . .
O75 Cl7 O76 108.8(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 N5 2.278(18) 2_567
Cd1 O61 2.288(12) .
Cd1 N1 2.294(17) .
Cd1 O31 2.295(13) .
Cd1 O41 2.315(12) .
Cd1 O11 2.330(13) .
Cd1 Cu1 3.268(3) .
Cu1 O31 1.935(13) .
Cu1 O11 1.935(12) .
Cu1 N19 1.967(18) .
Cu1 N23 1.989(17) .
Cu2 O41 1.923(13) .
Cu2 O61 1.964(12) .
Cu2 N49 1.969(17) .
Cu2 N53 2.004(19) .
O11 C12 1.33(2) .
C12 C17 1.37(3) .
C12 C13 1.41(3) .
C13 C14 1.39(3) .
C14 C15 1.37(3) .
C15 C16 1.39(3) .
C16 C17 1.42(3) .
C17 C18 1.43(3) .
C18 N19 1.29(3) .
N19 C20B 1.431(14) .
N19 C20A 1.431(14) .
C20A C21A 1.53(2) .
C21A C22A 1.53(2) .
C22A N23 1.436(13) .
C20B C21B 1.52(5) .
C21B C22B 1.43(5) .
C22B N23 1.436(13) .
N23 C24 1.30(3) .
C24 C25 1.45(3) .
C25 C30 1.37(3) .
C25 C26 1.41(3) .
C26 C27 1.36(4) .
C27 C28 1.41(3) .
C28 C29 1.39(3) .
C29 C30 1.37(3) .
C30 O31 1.35(2) .
O41 C42 1.35(2) .
C42 C43 1.33(3) .
C42 C47 1.43(3) .
C43 C44 1.41(3) .
C44 C45 1.36(4) .
C45 C46 1.37(4) .
C46 C47 1.40(3) .
C47 C48 1.39(3) .
C48 N49 1.29(3) .
N49 C50 1.47(3) .
C50 C51 1.48(4) .
C51 C52 1.51(4) .
C52 N53 1.47(3) .
N53 C54 1.29(3) .
C54 C55 1.48(3) .
C55 C60 1.36(3) .
C55 C56 1.41(3) .
C56 C57 1.37(3) .
C57 C58 1.43(3) .
C58 C59 1.33(3) .
C59 C60 1.44(3) .
C60 O61 1.28(2) .
N1 C2 1.18(2) .
C2 N3 1.26(2) .
N3 C4 1.31(2) .
C4 N5 1.12(2) .
N5 Cd1 2.278(18) 2_567
Cl7 O73 1.442(16) .
Cl7 O77 1.445(16) .
Cl7 O75 1.449(16) .
Cl7 O72 1.458(16) .
Cl7 O71 1.468(12) .
Cl7 O74 1.480(17) .
Cl7 O76 1.483(17) .
