# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_I
_database_code_depnum_ccdc_archive 'CCDC 2307991'
loop_
_audit_author_name
_audit_author_address
'Partha Pratim Jana'
; IIT KHARAGPUR
India
;
_audit_update_record             
;
2024-05-21 deposited with the CCDC.	2024-08-06 downloaded from the CCDC.
;
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_iupac          ?
_chemical_formula_sum            'Co1.7 Ni0.3 Zn11'
_chemical_formula_weight         837
_chemical_melting_point          ?
_chemical_compound_source        ?
_chemical_absolute_configuration ?

#=======================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting           cubic
_symmetry_space_group_name_H-M   'I -4 3 m'
_symmetry_space_group_name_Hall  'I -4;2;3'
_symmetry_Int_Tables_number      217

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 -x,y,-z
4 x,-y,-z
5 z,x,y
6 z,-x,-y
7 -z,-x,y
8 -z,x,-y
9 y,z,x
10 -y,z,-x
11 y,-z,-x
12 -y,-z,x
13 y,x,z
14 -y,-x,z
15 y,-x,-z
16 -y,x,-z
17 x,z,y
18 -x,z,-y
19 -x,-z,y
20 x,-z,-y
21 z,y,x
22 z,-y,-x
23 -z,y,-x
24 -z,-y,x
25 x+1/2,y+1/2,z+1/2
26 -x+1/2,-y+1/2,z+1/2
27 -x+1/2,y+1/2,-z+1/2
28 x+1/2,-y+1/2,-z+1/2
29 z+1/2,x+1/2,y+1/2
30 z+1/2,-x+1/2,-y+1/2
31 -z+1/2,-x+1/2,y+1/2
32 -z+1/2,x+1/2,-y+1/2
33 y+1/2,z+1/2,x+1/2
34 -y+1/2,z+1/2,-x+1/2
35 y+1/2,-z+1/2,-x+1/2
36 -y+1/2,-z+1/2,x+1/2
37 y+1/2,x+1/2,z+1/2
38 -y+1/2,-x+1/2,z+1/2
39 y+1/2,-x+1/2,-z+1/2
40 -y+1/2,x+1/2,-z+1/2
41 x+1/2,z+1/2,y+1/2
42 -x+1/2,z+1/2,-y+1/2
43 -x+1/2,-z+1/2,y+1/2
44 x+1/2,-z+1/2,-y+1/2
45 z+1/2,y+1/2,x+1/2
46 z+1/2,-y+1/2,-x+1/2
47 -z+1/2,y+1/2,-x+1/2
48 -z+1/2,-y+1/2,x+1/2

_cell_length_a                   8.9945(11)
_cell_length_b                   8.9945(11)
_cell_length_c                   8.9945(11)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     727.66(15)

loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
_twin_individual_twin_matrix_11
_twin_individual_twin_matrix_12
_twin_individual_twin_matrix_13
_twin_individual_twin_matrix_21
_twin_individual_twin_matrix_22
_twin_individual_twin_matrix_23
_twin_individual_twin_matrix_31
_twin_individual_twin_matrix_32
_twin_individual_twin_matrix_33
? ? ? ? ? ? ? ? ? ? ?

_cell_formula_units_Z            4

_cell_measurement_reflns_used    3025
_cell_measurement_theta_min      3.20
_cell_measurement_theta_max      34.93
_cell_measurement_temperature    293
_cell_special_details            
; ?
;

_exptl_crystal_density_diffrn    7.6399
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             1537

_exptl_absorpt_coefficient_mu    39.935
_exptl_crystal_description       rectangular
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_exptl_crystal_size_rad          ?
_exptl_crystal_colour            grey
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_correction_T_min  0.4542
_exptl_absorpt_correction_T_max  0.7469
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
? ? ? ?

#=======================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details           ?

_diffrn_ambient_temperature      293
_diffrn_source                   ?
_diffrn_source_power             ?
_diffrn_source_voltage           ?
_diffrn_source_current           ?
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker Photon II'
_diffrn_detector                 ?
_diffrn_detector_area_resol_mean ?
_diffrn_measurement_method       'Bruker Photon II'
_diffrn_measurement_specimen_support ?

_diffrn_reflns_number            7760
_diffrn_reflns_theta_min         3.2
_diffrn_reflns_theta_max         34.93
_diffrn_reflns_theta_full        34.93
_diffrn_measured_fraction_theta_max 1
_diffrn_measured_fraction_theta_full 1
_diffrn_reflns_av_R_equivalents  0.0506
_diffrn_reflns_av_unetI/netI     0.0156
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_reduction_process ?

_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?

_diffrn_radiation_probe          X-ray

#=======================================================================

# 8. REFINEMENT DATA

_refine_special_details          
; ?
;

_reflns_number_total             332
_reflns_number_gt                322
_reflns_threshold_expression     I>3σ(I)

_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0157
_refine_ls_wR_factor_gt          0.0376
_refine_ls_R_factor_all          0.0174
_refine_ls_wR_factor_ref         0.0384
_refine_ls_goodness_of_fit_ref   1.22
_refine_ls_goodness_of_fit_gt    1.21
_refine_ls_restrained_S_gt       ?
_refine_ls_restrained_S_all      ?
_refine_ls_number_reflns         332
_refine_ls_number_parameters     18
_refine_ls_number_restraints     0
_refine_ls_number_constraints    3
_refine_ls_weighting_scheme      sigma
_refine_ls_weighting_details     w=1/(σ²(I)+0.0004I²)
_refine_ls_hydrogen_treatment    ?
_refine_ls_shift/su_max          0.0232
_refine_ls_shift/su_mean         0.0077
_refine_diff_density_max         0.73
_refine_diff_density_min         -0.50
_refine_ls_extinction_method     
'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_extinction_coef       110(20)
_refine_ls_extinction_expression ?
_refine_ls_abs_structure_details 
;  141 of Friedel pairs used in the refinement
;
_refine_ls_abs_structure_Flack   ?
_refine_ls_abs_structure_Rogers  ?

loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Co 0.3494 0.9721 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Ni 0.3393 1.1124 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Zn 0.2839 1.4301 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  ?
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_restr_distance_atom_site_label_1
_restr_distance_site_symmetry_1
_restr_distance_atom_site_label_2
_restr_distance_site_symmetry_2
_restr_distance_target
_restr_distance_target_weight_param
? ? ? ? ? ?

loop_
_restr_angle_atom_site_label_1
_restr_angle_site_symmetry_1
_restr_angle_atom_site_label_2
_restr_angle_site_symmetry_2
_restr_angle_atom_site_label_3
_restr_angle_site_symmetry_3
_restr_angle_target
_restr_angle_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_torsion_atom_site_label_1
_restr_torsion_site_symmetry_1
_restr_torsion_atom_site_label_2
_restr_torsion_site_symmetry_2
_restr_torsion_atom_site_label_3
_restr_torsion_site_symmetry_3
_restr_torsion_atom_site_label_4
_restr_torsion_site_symmetry_4
_restr_torsion_angle_target
_restr_torsion_weight_param
? ? ? ? ? ? ? ? ? ?

loop_
_restr_equal_distance_atom_site_label_1
_restr_equal_distance_site_symmetry_1
_restr_equal_distance_atom_site_label_2
_restr_equal_distance_site_symmetry_2
_restr_equal_distance_class_class_id
_restr_equal_distance_class_target_weight_param
? ? ? ? ? ?

loop_
_restr_equal_angle_atom_site_label_1
_restr_equal_angle_site_symmetry_1
_restr_equal_angle_atom_site_label_2
_restr_equal_angle_site_symmetry_2
_restr_equal_angle_atom_site_label_3
_restr_equal_angle_site_symmetry_3
_restr_equal_angle_class_class_id
_restr_equal_angle_class_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_equal_torsion_atom_site_label_1
_restr_equal_torsion_site_symmetry_1
_restr_equal_torsion_atom_site_label_2
_restr_equal_torsion_site_symmetry_2
_restr_equal_torsion_atom_site_label_3
_restr_equal_torsion_site_symmetry_3
_restr_equal_torsion_atom_site_label_4
_restr_equal_torsion_site_symmetry_4
_restr_equal_torsion_class_class_id
_restr_equal_torsion_class_target_weight_param
? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_site_symmetry_multiplicity
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.39628(5) 0.39628(5) 0.39628(5) Uani 0.01261(9) 8 1 d . . .
Zn2 Zn 0.35408(7) 0 0 Uani 0.01231(11) 12 1 d . . .
Zn3 Zn 0.30553(4) 0.30553(4) 0.95308(5) Uani 0.01369(9) 24 1 d . . .
Co1 Co 0.17229(5) 0.17229(5) 0.17229(5) Uani 0.00900(9) 8 0.85 d . . .
Ni1 Ni 0.17229(5) 0.17229(5) 0.17229(5) Uani 0.00900(9) 8 0.15 d . . .


loop_
_jana_atom_site_ADP_C_label
_jana_atom_site_ADP_C_type_symbol
_jana_atom_site_ADP_C_111
_jana_atom_site_ADP_C_112
_jana_atom_site_ADP_C_113
_jana_atom_site_ADP_C_122
_jana_atom_site_ADP_C_123
_jana_atom_site_ADP_C_133
_jana_atom_site_ADP_C_222
_jana_atom_site_ADP_C_223
_jana_atom_site_ADP_C_233
_jana_atom_site_ADP_C_333
? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_D_label
_jana_atom_site_ADP_D_type_symbol
_jana_atom_site_ADP_D_1111
_jana_atom_site_ADP_D_1112
_jana_atom_site_ADP_D_1113
_jana_atom_site_ADP_D_1122
_jana_atom_site_ADP_D_1123
_jana_atom_site_ADP_D_1133
_jana_atom_site_ADP_D_1222
_jana_atom_site_ADP_D_1223
_jana_atom_site_ADP_D_1233
_jana_atom_site_ADP_D_1333
_jana_atom_site_ADP_D_2222
_jana_atom_site_ADP_D_2223
_jana_atom_site_ADP_D_2233
_jana_atom_site_ADP_D_2333
_jana_atom_site_ADP_D_3333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_E_label
_jana_atom_site_ADP_E_type_symbol
_jana_atom_site_ADP_E_11111
_jana_atom_site_ADP_E_11112
_jana_atom_site_ADP_E_11113
_jana_atom_site_ADP_E_11122
_jana_atom_site_ADP_E_11123
_jana_atom_site_ADP_E_11133
_jana_atom_site_ADP_E_11222
_jana_atom_site_ADP_E_11223
_jana_atom_site_ADP_E_11233
_jana_atom_site_ADP_E_11333
_jana_atom_site_ADP_E_12222
_jana_atom_site_ADP_E_12223
_jana_atom_site_ADP_E_12233
_jana_atom_site_ADP_E_12333
_jana_atom_site_ADP_E_13333
_jana_atom_site_ADP_E_22222
_jana_atom_site_ADP_E_22223
_jana_atom_site_ADP_E_22233
_jana_atom_site_ADP_E_22333
_jana_atom_site_ADP_E_23333
_jana_atom_site_ADP_E_33333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_F_label
_jana_atom_site_ADP_F_type_symbol
_jana_atom_site_ADP_F_111111
_jana_atom_site_ADP_F_111112
_jana_atom_site_ADP_F_111113
_jana_atom_site_ADP_F_111122
_jana_atom_site_ADP_F_111123
_jana_atom_site_ADP_F_111133
_jana_atom_site_ADP_F_111222
_jana_atom_site_ADP_F_111223
_jana_atom_site_ADP_F_111233
_jana_atom_site_ADP_F_111333
_jana_atom_site_ADP_F_112222
_jana_atom_site_ADP_F_112223
_jana_atom_site_ADP_F_112233
_jana_atom_site_ADP_F_112333
_jana_atom_site_ADP_F_113333
_jana_atom_site_ADP_F_122222
_jana_atom_site_ADP_F_122223
_jana_atom_site_ADP_F_122233
_jana_atom_site_ADP_F_122333
_jana_atom_site_ADP_F_123333
_jana_atom_site_ADP_F_133333
_jana_atom_site_ADP_F_222222
_jana_atom_site_ADP_F_222223
_jana_atom_site_ADP_F_222233
_jana_atom_site_ADP_F_222333
_jana_atom_site_ADP_F_223333
_jana_atom_site_ADP_F_233333
_jana_atom_site_ADP_F_333333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 10. MOLECULAR GEOMETRY


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Zn1 Zn1 . 2_665 2.6387(8) ?
Zn1 Zn1 . 3_656 2.6387(8) ?
Zn1 Zn1 . 4_566 2.6387(8) ?
Zn1 Zn2 . 26_555 2.6099(9) ?
Zn1 Zn2 . 30_555 2.6099(9) ?
Zn1 Zn2 . 34_555 2.6099(9) ?
Zn1 Zn3 . 26_554 2.6174(7) ?
Zn1 Zn3 . 30_455 2.6174(7) ?
Zn1 Zn3 . 34_545 2.6174(7) ?
Zn1 Co1 . 26_555 2.6313(9) ?
Zn1 Co1 . 27_555 2.6313(9) ?
Zn1 Co1 . 28_555 2.6313(9) ?
Zn1 Ni1 . 26_555 2.6313(9) ?
Zn1 Ni1 . 27_555 2.6313(9) ?
Zn1 Ni1 . 28_555 2.6313(9) ?
Zn2 Zn2 . 2_655 2.6250(11) ?
Zn2 Zn3 . 1_554 2.8144(8) ?
Zn2 Zn3 . 4_556 2.8144(8) ?
Zn2 Zn3 . 29_444 2.6291(6) ?
Zn2 Zn3 . 30_455 2.6291(6) ?
Zn2 Zn3 . 9_545 2.8144(8) ?
Zn2 Zn3 . 11_565 2.8144(8) ?
Zn2 Co1 . . 2.7343(7) ?
Zn2 Co1 . 4_555 2.7343(7) ?
Zn2 Ni1 . . 2.7343(7) ?
Zn2 Ni1 . 4_555 2.7343(7) ?
Zn3 Zn3 . 30_456 2.7337(7) ?
Zn3 Zn3 . 31_655 2.7337(7) ?
Zn3 Zn3 . 34_546 2.7337(7) ?
Zn3 Zn3 . 36_565 2.7337(7) ?
Zn3 Co1 . 1_556 2.6000(7) ?
Zn3 Co1 . 26_555 2.5413(9) ?
Zn3 Ni1 . 1_556 2.6000(7) ?
Zn3 Ni1 . 26_555 2.5413(9) ?
Co1 Ni1 . . 0 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Zn1 Zn1 Zn1 2_665 . 3_656 60.000(18) ?
Zn1 Zn1 Zn1 2_665 . 4_566 60.000(18) ?
Zn1 Zn1 Zn2 2_665 . 26_555 110.94(2) ?
Zn1 Zn1 Zn2 2_665 . 30_555 110.94(2) ?
Zn1 Zn1 Zn2 2_665 . 34_555 59.635(16) ?
Zn1 Zn1 Zn3 2_665 . 26_554 168.74(2) ?
Zn1 Zn1 Zn3 2_665 . 30_455 110.63(2) ?
Zn1 Zn1 Zn3 2_665 . 34_545 110.63(2) ?
Zn1 Zn1 Co1 2_665 . 26_555 109.36(2) ?
Zn1 Zn1 Co1 2_665 . 27_555 59.908(18) ?
Zn1 Zn1 Co1 2_665 . 28_555 59.908(18) ?
Zn1 Zn1 Ni1 2_665 . 26_555 109.36(2) ?
Zn1 Zn1 Ni1 2_665 . 27_555 59.908(18) ?
Zn1 Zn1 Ni1 2_665 . 28_555 59.908(18) ?
Zn1 Zn1 Zn1 3_656 . 4_566 60.000(18) ?
Zn1 Zn1 Zn2 3_656 . 26_555 110.94(2) ?
Zn1 Zn1 Zn2 3_656 . 30_555 59.635(16) ?
Zn1 Zn1 Zn2 3_656 . 34_555 110.94(2) ?
Zn1 Zn1 Zn3 3_656 . 26_554 110.63(2) ?
Zn1 Zn1 Zn3 3_656 . 30_455 110.63(2) ?
Zn1 Zn1 Zn3 3_656 . 34_545 168.74(2) ?
Zn1 Zn1 Co1 3_656 . 26_555 59.908(18) ?
Zn1 Zn1 Co1 3_656 . 27_555 109.36(2) ?
Zn1 Zn1 Co1 3_656 . 28_555 59.908(18) ?
Zn1 Zn1 Ni1 3_656 . 26_555 59.908(18) ?
Zn1 Zn1 Ni1 3_656 . 27_555 109.36(2) ?
Zn1 Zn1 Ni1 3_656 . 28_555 59.908(18) ?
Zn1 Zn1 Zn2 4_566 . 26_555 59.635(16) ?
Zn1 Zn1 Zn2 4_566 . 30_555 110.94(2) ?
Zn1 Zn1 Zn2 4_566 . 34_555 110.94(2) ?
Zn1 Zn1 Zn3 4_566 . 26_554 110.63(2) ?
Zn1 Zn1 Zn3 4_566 . 30_455 168.74(2) ?
Zn1 Zn1 Zn3 4_566 . 34_545 110.63(2) ?
Zn1 Zn1 Co1 4_566 . 26_555 59.908(18) ?
Zn1 Zn1 Co1 4_566 . 27_555 59.908(18) ?
Zn1 Zn1 Co1 4_566 . 28_555 109.36(2) ?
Zn1 Zn1 Ni1 4_566 . 26_555 59.908(18) ?
Zn1 Zn1 Ni1 4_566 . 27_555 59.908(18) ?
Zn1 Zn1 Ni1 4_566 . 28_555 109.36(2) ?
Zn2 Zn1 Zn2 26_555 . 30_555 119.279(18) ?
Zn2 Zn1 Zn2 26_555 . 34_555 119.279(18) ?
Zn2 Zn1 Zn3 26_555 . 26_554 65.150(16) ?
Zn2 Zn1 Zn3 26_555 . 30_455 131.62(2) ?
Zn2 Zn1 Zn3 26_555 . 34_545 65.150(16) ?
Zn2 Zn1 Co1 26_555 . 26_555 62.890(15) ?
Zn2 Zn1 Co1 26_555 . 27_555 62.890(15) ?
Zn2 Zn1 Co1 26_555 . 28_555 168.99(2) ?
Zn2 Zn1 Ni1 26_555 . 26_555 62.890(15) ?
Zn2 Zn1 Ni1 26_555 . 27_555 62.890(15) ?
Zn2 Zn1 Ni1 26_555 . 28_555 168.99(2) ?
Zn2 Zn1 Zn2 30_555 . 34_555 119.279(18) ?
Zn2 Zn1 Zn3 30_555 . 26_554 65.150(16) ?
Zn2 Zn1 Zn3 30_555 . 30_455 65.150(16) ?
Zn2 Zn1 Zn3 30_555 . 34_545 131.62(2) ?
Zn2 Zn1 Co1 30_555 . 26_555 62.890(15) ?
Zn2 Zn1 Co1 30_555 . 27_555 168.99(2) ?
Zn2 Zn1 Co1 30_555 . 28_555 62.890(15) ?
Zn2 Zn1 Ni1 30_555 . 26_555 62.890(15) ?
Zn2 Zn1 Ni1 30_555 . 27_555 168.99(2) ?
Zn2 Zn1 Ni1 30_555 . 28_555 62.890(15) ?
Zn2 Zn1 Zn3 34_555 . 26_554 131.62(2) ?
Zn2 Zn1 Zn3 34_555 . 30_455 65.150(16) ?
Zn2 Zn1 Zn3 34_555 . 34_545 65.150(16) ?
Zn2 Zn1 Co1 34_555 . 26_555 168.99(2) ?
Zn2 Zn1 Co1 34_555 . 27_555 62.890(15) ?
Zn2 Zn1 Co1 34_555 . 28_555 62.890(15) ?
Zn2 Zn1 Ni1 34_555 . 26_555 168.99(2) ?
Zn2 Zn1 Ni1 34_555 . 27_555 62.890(15) ?
Zn2 Zn1 Ni1 34_555 . 28_555 62.890(15) ?
Zn3 Zn1 Zn3 26_554 . 30_455 77.865(19) ?
Zn3 Zn1 Zn3 26_554 . 34_545 77.865(19) ?
Zn3 Zn1 Co1 26_554 . 26_555 59.386(17) ?
Zn3 Zn1 Co1 26_554 . 27_555 122.51(2) ?
Zn3 Zn1 Co1 26_554 . 28_555 122.51(2) ?
Zn3 Zn1 Ni1 26_554 . 26_555 59.386(17) ?
Zn3 Zn1 Ni1 26_554 . 27_555 122.51(2) ?
Zn3 Zn1 Ni1 26_554 . 28_555 122.51(2) ?
Zn3 Zn1 Zn3 30_455 . 34_545 77.865(19) ?
Zn3 Zn1 Co1 30_455 . 26_555 122.51(2) ?
Zn3 Zn1 Co1 30_455 . 27_555 122.51(2) ?
Zn3 Zn1 Co1 30_455 . 28_555 59.386(17) ?
Zn3 Zn1 Ni1 30_455 . 26_555 122.51(2) ?
Zn3 Zn1 Ni1 30_455 . 27_555 122.51(2) ?
Zn3 Zn1 Ni1 30_455 . 28_555 59.386(17) ?
Zn3 Zn1 Co1 34_545 . 26_555 122.51(2) ?
Zn3 Zn1 Co1 34_545 . 27_555 59.386(17) ?
Zn3 Zn1 Co1 34_545 . 28_555 122.51(2) ?
Zn3 Zn1 Ni1 34_545 . 26_555 122.51(2) ?
Zn3 Zn1 Ni1 34_545 . 27_555 59.386(17) ?
Zn3 Zn1 Ni1 34_545 . 28_555 122.51(2) ?
Co1 Zn1 Co1 26_555 . 27_555 112.79(2) ?
Co1 Zn1 Co1 26_555 . 28_555 112.79(2) ?
Co1 Zn1 Ni1 26_555 . 26_555 0 ?
Co1 Zn1 Ni1 26_555 . 27_555 112.79(2) ?
Co1 Zn1 Ni1 26_555 . 28_555 112.79(2) ?
Co1 Zn1 Co1 27_555 . 28_555 112.79(2) ?
Co1 Zn1 Ni1 27_555 . 26_555 112.79(2) ?
Co1 Zn1 Ni1 27_555 . 27_555 0 ?
Co1 Zn1 Ni1 27_555 . 28_555 112.79(2) ?
Co1 Zn1 Ni1 28_555 . 26_555 112.79(2) ?
Co1 Zn1 Ni1 28_555 . 27_555 112.79(2) ?
Co1 Zn1 Ni1 28_555 . 28_555 0 ?
Ni1 Zn1 Ni1 26_555 . 27_555 112.79(2) ?
Ni1 Zn1 Ni1 26_555 . 28_555 112.79(2) ?
Ni1 Zn1 Ni1 27_555 . 28_555 112.79(2) ?
Zn1 Zn2 Zn1 26_554 . 27_545 60.73(2) ?
Zn1 Zn2 Zn2 26_554 . 2_655 149.635(13) ?
Zn1 Zn2 Zn3 26_554 . 1_554 57.554(14) ?
Zn1 Zn2 Zn3 26_554 . 4_556 105.59(2) ?
Zn1 Zn2 Zn3 26_554 . 29_444 106.992(18) ?
Zn1 Zn2 Zn3 26_554 . 30_455 106.992(18) ?
Zn1 Zn2 Zn3 26_554 . 9_545 105.59(2) ?
Zn1 Zn2 Zn3 26_554 . 11_565 57.554(14) ?
Zn1 Zn2 Co1 26_554 . . 58.938(19) ?
Zn1 Zn2 Co1 26_554 . 4_555 58.938(19) ?
Zn1 Zn2 Ni1 26_554 . . 58.938(19) ?
Zn1 Zn2 Ni1 26_554 . 4_555 58.938(19) ?
Zn1 Zn2 Zn2 27_545 . 2_655 149.635(13) ?
Zn1 Zn2 Zn3 27_545 . 1_554 105.59(2) ?
Zn1 Zn2 Zn3 27_545 . 4_556 57.554(14) ?
Zn1 Zn2 Zn3 27_545 . 29_444 106.992(18) ?
Zn1 Zn2 Zn3 27_545 . 30_455 106.992(18) ?
Zn1 Zn2 Zn3 27_545 . 9_545 57.554(14) ?
Zn1 Zn2 Zn3 27_545 . 11_565 105.59(2) ?
Zn1 Zn2 Co1 27_545 . . 58.938(19) ?
Zn1 Zn2 Co1 27_545 . 4_555 58.938(19) ?
Zn1 Zn2 Ni1 27_545 . . 58.938(19) ?
Zn1 Zn2 Ni1 27_545 . 4_555 58.938(19) ?
Zn2 Zn2 Zn3 2_655 . 1_554 98.926(15) ?
Zn2 Zn2 Zn3 2_655 . 4_556 98.926(15) ?
Zn2 Zn2 Zn3 2_655 . 29_444 70.203(16) ?
Zn2 Zn2 Zn3 2_655 . 30_455 70.203(16) ?
Zn2 Zn2 Zn3 2_655 . 9_545 98.926(15) ?
Zn2 Zn2 Zn3 2_655 . 11_565 98.926(15) ?
Zn2 Zn2 Co1 2_655 . . 126.726(15) ?
Zn2 Zn2 Co1 2_655 . 4_555 126.726(15) ?
Zn2 Zn2 Ni1 2_655 . . 126.726(15) ?
Zn2 Zn2 Ni1 2_655 . 4_555 126.726(15) ?
Zn3 Zn2 Zn3 1_554 . 4_556 162.15(3) ?
Zn3 Zn2 Zn3 1_554 . 29_444 127.044(14) ?
Zn3 Zn2 Zn3 1_554 . 30_455 60.177(13) ?
Zn3 Zn2 Zn3 1_554 . 9_545 105.591(14) ?
Zn3 Zn2 Zn3 1_554 . 11_565 71.524(13) ?
Zn3 Zn2 Co1 1_554 . . 55.861(14) ?
Zn3 Zn2 Co1 1_554 . 4_555 112.06(2) ?
Zn3 Zn2 Ni1 1_554 . . 55.861(14) ?
Zn3 Zn2 Ni1 1_554 . 4_555 112.06(2) ?
Zn3 Zn2 Zn3 4_556 . 29_444 60.177(13) ?
Zn3 Zn2 Zn3 4_556 . 30_455 127.044(14) ?
Zn3 Zn2 Zn3 4_556 . 9_545 71.524(13) ?
Zn3 Zn2 Zn3 4_556 . 11_565 105.591(14) ?
Zn3 Zn2 Co1 4_556 . . 112.06(2) ?
Zn3 Zn2 Co1 4_556 . 4_555 55.861(14) ?
Zn3 Zn2 Ni1 4_556 . . 112.06(2) ?
Zn3 Zn2 Ni1 4_556 . 4_555 55.861(14) ?
Zn3 Zn2 Zn3 29_444 . 30_455 140.41(3) ?
Zn3 Zn2 Zn3 29_444 . 9_545 127.044(14) ?
Zn3 Zn2 Zn3 29_444 . 11_565 60.177(13) ?
Zn3 Zn2 Co1 29_444 . . 163.07(3) ?
Zn3 Zn2 Co1 29_444 . 4_555 56.524(15) ?
Zn3 Zn2 Ni1 29_444 . . 163.07(3) ?
Zn3 Zn2 Ni1 29_444 . 4_555 56.524(15) ?
Zn3 Zn2 Zn3 30_455 . 9_545 60.177(13) ?
Zn3 Zn2 Zn3 30_455 . 11_565 127.044(14) ?
Zn3 Zn2 Co1 30_455 . . 56.524(15) ?
Zn3 Zn2 Co1 30_455 . 4_555 163.07(3) ?
Zn3 Zn2 Ni1 30_455 . . 56.524(15) ?
Zn3 Zn2 Ni1 30_455 . 4_555 163.07(3) ?
Zn3 Zn2 Zn3 9_545 . 11_565 162.15(3) ?
Zn3 Zn2 Co1 9_545 . . 55.861(14) ?
Zn3 Zn2 Co1 9_545 . 4_555 112.06(2) ?
Zn3 Zn2 Ni1 9_545 . . 55.861(14) ?
Zn3 Zn2 Ni1 9_545 . 4_555 112.06(2) ?
Zn3 Zn2 Co1 11_565 . . 112.06(2) ?
Zn3 Zn2 Co1 11_565 . 4_555 55.861(14) ?
Zn3 Zn2 Ni1 11_565 . . 112.06(2) ?
Zn3 Zn2 Ni1 11_565 . 4_555 55.861(14) ?
Co1 Zn2 Co1 . . 4_555 106.55(3) ?
Co1 Zn2 Ni1 . . . 0 ?
Co1 Zn2 Ni1 . . 4_555 106.55(3) ?
Co1 Zn2 Ni1 4_555 . . 106.55(3) ?
Co1 Zn2 Ni1 4_555 . 4_555 0 ?
Ni1 Zn2 Ni1 . . 4_555 106.55(3) ?
Zn1 Zn3 Zn2 26_555 . 1_556 57.296(18) ?
Zn1 Zn3 Zn2 26_555 . 5_556 57.296(18) ?
Zn1 Zn3 Zn2 26_555 . 33_555 148.95(3) ?
Zn1 Zn3 Zn3 26_555 . 30_456 103.785(19) ?
Zn1 Zn3 Zn3 26_555 . 31_655 101.69(2) ?
Zn1 Zn3 Zn3 26_555 . 34_546 103.785(19) ?
Zn1 Zn3 Zn3 26_555 . 36_565 101.69(2) ?
Zn1 Zn3 Co1 26_555 . 1_556 60.574(17) ?
Zn1 Zn3 Co1 26_555 . 26_555 85.118(19) ?
Zn1 Zn3 Ni1 26_555 . 1_556 60.574(17) ?
Zn1 Zn3 Ni1 26_555 . 26_555 85.118(19) ?
Zn2 Zn3 Zn2 1_556 . 5_556 106.29(2) ?
Zn2 Zn3 Zn2 1_556 . 33_555 126.669(19) ?
Zn2 Zn3 Zn3 1_556 . 30_456 56.549(12) ?
Zn2 Zn3 Zn3 1_556 . 31_655 65.969(15) ?
Zn2 Zn3 Zn3 1_556 . 34_546 114.308(19) ?
Zn2 Zn3 Zn3 1_556 . 36_565 154.82(2) ?
Zn2 Zn3 Co1 1_556 . 1_556 60.510(15) ?
Zn2 Zn3 Co1 1_556 . 26_555 102.327(17) ?
Zn2 Zn3 Ni1 1_556 . 1_556 60.510(15) ?
Zn2 Zn3 Ni1 1_556 . 26_555 102.327(17) ?
Zn2 Zn3 Zn2 5_556 . 33_555 126.669(19) ?
Zn2 Zn3 Zn3 5_556 . 30_456 114.308(19) ?
Zn2 Zn3 Zn3 5_556 . 31_655 154.82(2) ?
Zn2 Zn3 Zn3 5_556 . 34_546 56.549(12) ?
Zn2 Zn3 Zn3 5_556 . 36_565 65.969(15) ?
Zn2 Zn3 Co1 5_556 . 1_556 60.510(15) ?
Zn2 Zn3 Co1 5_556 . 26_555 102.327(17) ?
Zn2 Zn3 Ni1 5_556 . 1_556 60.510(15) ?
Zn2 Zn3 Ni1 5_556 . 26_555 102.327(17) ?
Zn2 Zn3 Zn3 33_555 . 30_456 100.902(19) ?
Zn2 Zn3 Zn3 33_555 . 31_655 63.274(15) ?
Zn2 Zn3 Zn3 33_555 . 34_546 100.902(19) ?
Zn2 Zn3 Zn3 33_555 . 36_565 63.274(15) ?
Zn2 Zn3 Co1 33_555 . 1_556 150.48(2) ?
Zn2 Zn3 Co1 33_555 . 26_555 63.828(19) ?
Zn2 Zn3 Ni1 33_555 . 1_556 150.48(2) ?
Zn2 Zn3 Ni1 33_555 . 26_555 63.828(19) ?
Zn3 Zn3 Zn3 30_456 . 31_655 82.327(17) ?
Zn3 Zn3 Zn3 30_456 . 34_546 73.978(18) ?
Zn3 Zn3 Zn3 30_456 . 36_565 148.560(19) ?
Zn3 Zn3 Co1 30_456 . 1_556 56.842(18) ?
Zn3 Zn3 Co1 30_456 . 26_555 141.25(2) ?
Zn3 Zn3 Ni1 30_456 . 1_556 56.842(18) ?
Zn3 Zn3 Ni1 30_456 . 26_555 141.25(2) ?
Zn3 Zn3 Zn3 31_655 . 34_546 148.560(19) ?
Zn3 Zn3 Zn3 31_655 . 36_565 110.167(19) ?
Zn3 Zn3 Co1 31_655 . 1_556 124.46(2) ?
Zn3 Zn3 Co1 31_655 . 26_555 58.927(16) ?
Zn3 Zn3 Ni1 31_655 . 1_556 124.46(2) ?
Zn3 Zn3 Ni1 31_655 . 26_555 58.927(16) ?
Zn3 Zn3 Zn3 34_546 . 36_565 82.327(17) ?
Zn3 Zn3 Co1 34_546 . 1_556 56.842(18) ?
Zn3 Zn3 Co1 34_546 . 26_555 141.25(2) ?
Zn3 Zn3 Ni1 34_546 . 1_556 56.842(18) ?
Zn3 Zn3 Ni1 34_546 . 26_555 141.25(2) ?
Zn3 Zn3 Co1 36_565 . 1_556 124.46(2) ?
Zn3 Zn3 Co1 36_565 . 26_555 58.927(16) ?
Zn3 Zn3 Ni1 36_565 . 1_556 124.46(2) ?
Zn3 Zn3 Ni1 36_565 . 26_555 58.927(16) ?
Co1 Zn3 Co1 1_556 . 26_555 145.69(2) ?
Co1 Zn3 Ni1 1_556 . 1_556 0 ?
Co1 Zn3 Ni1 1_556 . 26_555 145.69(2) ?
Co1 Zn3 Ni1 26_555 . 1_556 145.69(2) ?
Co1 Zn3 Ni1 26_555 . 26_555 0 ?
Ni1 Zn3 Ni1 1_556 . 26_555 145.69(2) ?
Zn1 Co1 Zn1 26_554 . 27_545 60.184(17) ?
Zn1 Co1 Zn1 26_554 . 28_455 60.184(17) ?
Zn1 Co1 Zn2 26_554 . . 58.171(17) ?
Zn1 Co1 Zn2 26_554 . 5_555 58.171(17) ?
Zn1 Co1 Zn2 26_554 . 9_555 107.37(2) ?
Zn1 Co1 Zn3 26_554 . 1_554 60.040(18) ?
Zn1 Co1 Zn3 26_554 . 26_554 167.02(2) ?
Zn1 Co1 Zn3 26_554 . 5_455 111.42(2) ?
Zn1 Co1 Zn3 26_554 . 30_455 108.99(2) ?
Zn1 Co1 Zn3 26_554 . 9_545 111.42(2) ?
Zn1 Co1 Zn3 26_554 . 34_545 108.99(2) ?
Zn1 Co1 Ni1 26_554 . . 0 ?
Zn1 Co1 Zn1 27_545 . 28_455 60.184(17) ?
Zn1 Co1 Zn2 27_545 . . 58.171(17) ?
Zn1 Co1 Zn2 27_545 . 5_555 107.37(2) ?
Zn1 Co1 Zn2 27_545 . 9_555 58.171(17) ?
Zn1 Co1 Zn3 27_545 . 1_554 111.42(2) ?
Zn1 Co1 Zn3 27_545 . 26_554 108.99(2) ?
Zn1 Co1 Zn3 27_545 . 5_455 111.42(2) ?
Zn1 Co1 Zn3 27_545 . 30_455 108.99(2) ?
Zn1 Co1 Zn3 27_545 . 9_545 60.040(18) ?
Zn1 Co1 Zn3 27_545 . 34_545 167.02(2) ?
Zn1 Co1 Ni1 27_545 . . 0 ?
Zn1 Co1 Zn2 28_455 . . 107.37(2) ?
Zn1 Co1 Zn2 28_455 . 5_555 58.171(17) ?
Zn1 Co1 Zn2 28_455 . 9_555 58.171(17) ?
Zn1 Co1 Zn3 28_455 . 1_554 111.42(2) ?
Zn1 Co1 Zn3 28_455 . 26_554 108.99(2) ?
Zn1 Co1 Zn3 28_455 . 5_455 60.040(18) ?
Zn1 Co1 Zn3 28_455 . 30_455 167.02(2) ?
Zn1 Co1 Zn3 28_455 . 9_545 111.42(2) ?
Zn1 Co1 Zn3 28_455 . 34_545 108.99(2) ?
Zn1 Co1 Ni1 28_455 . . 0 ?
Zn2 Co1 Zn2 . . 5_555 110.893(19) ?
Zn2 Co1 Zn2 . . 9_555 110.893(19) ?
Zn2 Co1 Zn3 . . 1_554 63.628(15) ?
Zn2 Co1 Zn3 . . 26_554 124.11(2) ?
Zn2 Co1 Zn3 . . 5_455 167.41(2) ?
Zn2 Co1 Zn3 . . 30_455 59.648(17) ?
Zn2 Co1 Zn3 . . 9_545 63.628(15) ?
Zn2 Co1 Zn3 . . 34_545 124.11(2) ?
Zn2 Co1 Ni1 . . . 0 ?
Zn2 Co1 Zn2 5_555 . 9_555 110.893(19) ?
Zn2 Co1 Zn3 5_555 . 1_554 63.628(15) ?
Zn2 Co1 Zn3 5_555 . 26_554 124.11(2) ?
Zn2 Co1 Zn3 5_555 . 5_455 63.628(15) ?
Zn2 Co1 Zn3 5_555 . 30_455 124.11(2) ?
Zn2 Co1 Zn3 5_555 . 9_545 167.41(2) ?
Zn2 Co1 Zn3 5_555 . 34_545 59.648(17) ?
Zn2 Co1 Ni1 5_555 . . 0 ?
Zn2 Co1 Zn3 9_555 . 1_554 167.41(2) ?
Zn2 Co1 Zn3 9_555 . 26_554 59.648(17) ?
Zn2 Co1 Zn3 9_555 . 5_455 63.628(15) ?
Zn2 Co1 Zn3 9_555 . 30_455 124.11(2) ?
Zn2 Co1 Zn3 9_555 . 9_545 63.628(15) ?
Zn2 Co1 Zn3 9_555 . 34_545 124.11(2) ?
Zn2 Co1 Ni1 9_555 . . 0 ?
Zn3 Co1 Zn3 1_554 . 26_554 132.94(2) ?
Zn3 Co1 Zn3 1_554 . 5_455 119.12(2) ?
Zn3 Co1 Zn3 1_554 . 30_455 64.231(16) ?
Zn3 Co1 Zn3 1_554 . 9_545 119.12(2) ?
Zn3 Co1 Zn3 1_554 . 34_545 64.231(16) ?
Zn3 Co1 Ni1 1_554 . . 0 ?
Zn3 Co1 Zn3 26_554 . 5_455 64.231(16) ?
Zn3 Co1 Zn3 26_554 . 30_455 80.665(17) ?
Zn3 Co1 Zn3 26_554 . 9_545 64.231(16) ?
Zn3 Co1 Zn3 26_554 . 34_545 80.665(17) ?
Zn3 Co1 Ni1 26_554 . . 0 ?
Zn3 Co1 Zn3 5_455 . 30_455 132.94(2) ?
Zn3 Co1 Zn3 5_455 . 9_545 119.12(2) ?
Zn3 Co1 Zn3 5_455 . 34_545 64.231(16) ?
Zn3 Co1 Ni1 5_455 . . 0 ?
Zn3 Co1 Zn3 30_455 . 9_545 64.231(16) ?
Zn3 Co1 Zn3 30_455 . 34_545 80.665(17) ?
Zn3 Co1 Ni1 30_455 . . 0 ?
Zn3 Co1 Zn3 9_545 . 34_545 132.94(2) ?
Zn3 Co1 Ni1 9_545 . . 0 ?
Zn3 Co1 Ni1 34_545 . . 0 ?
Zn1 Ni1 Zn1 26_554 . 27_545 60.184(17) ?
Zn1 Ni1 Zn1 26_554 . 28_455 60.184(17) ?
Zn1 Ni1 Zn2 26_554 . . 58.171(17) ?
Zn1 Ni1 Zn2 26_554 . 5_555 58.171(17) ?
Zn1 Ni1 Zn2 26_554 . 9_555 107.37(2) ?
Zn1 Ni1 Zn3 26_554 . 1_554 60.040(18) ?
Zn1 Ni1 Zn3 26_554 . 26_554 167.02(2) ?
Zn1 Ni1 Zn3 26_554 . 5_455 111.42(2) ?
Zn1 Ni1 Zn3 26_554 . 30_455 108.99(2) ?
Zn1 Ni1 Zn3 26_554 . 9_545 111.42(2) ?
Zn1 Ni1 Zn3 26_554 . 34_545 108.99(2) ?
Zn1 Ni1 Co1 26_554 . . 0 ?
Zn1 Ni1 Zn1 27_545 . 28_455 60.184(17) ?
Zn1 Ni1 Zn2 27_545 . . 58.171(17) ?
Zn1 Ni1 Zn2 27_545 . 5_555 107.37(2) ?
Zn1 Ni1 Zn2 27_545 . 9_555 58.171(17) ?
Zn1 Ni1 Zn3 27_545 . 1_554 111.42(2) ?
Zn1 Ni1 Zn3 27_545 . 26_554 108.99(2) ?
Zn1 Ni1 Zn3 27_545 . 5_455 111.42(2) ?
Zn1 Ni1 Zn3 27_545 . 30_455 108.99(2) ?
Zn1 Ni1 Zn3 27_545 . 9_545 60.040(18) ?
Zn1 Ni1 Zn3 27_545 . 34_545 167.02(2) ?
Zn1 Ni1 Co1 27_545 . . 0 ?
Zn1 Ni1 Zn2 28_455 . . 107.37(2) ?
Zn1 Ni1 Zn2 28_455 . 5_555 58.171(17) ?
Zn1 Ni1 Zn2 28_455 . 9_555 58.171(17) ?
Zn1 Ni1 Zn3 28_455 . 1_554 111.42(2) ?
Zn1 Ni1 Zn3 28_455 . 26_554 108.99(2) ?
Zn1 Ni1 Zn3 28_455 . 5_455 60.040(18) ?
Zn1 Ni1 Zn3 28_455 . 30_455 167.02(2) ?
Zn1 Ni1 Zn3 28_455 . 9_545 111.42(2) ?
Zn1 Ni1 Zn3 28_455 . 34_545 108.99(2) ?
Zn1 Ni1 Co1 28_455 . . 0 ?
Zn2 Ni1 Zn2 . . 5_555 110.893(19) ?
Zn2 Ni1 Zn2 . . 9_555 110.893(19) ?
Zn2 Ni1 Zn3 . . 1_554 63.628(15) ?
Zn2 Ni1 Zn3 . . 26_554 124.11(2) ?
Zn2 Ni1 Zn3 . . 5_455 167.41(2) ?
Zn2 Ni1 Zn3 . . 30_455 59.648(17) ?
Zn2 Ni1 Zn3 . . 9_545 63.628(15) ?
Zn2 Ni1 Zn3 . . 34_545 124.11(2) ?
Zn2 Ni1 Co1 . . . 0 ?
Zn2 Ni1 Zn2 5_555 . 9_555 110.893(19) ?
Zn2 Ni1 Zn3 5_555 . 1_554 63.628(15) ?
Zn2 Ni1 Zn3 5_555 . 26_554 124.11(2) ?
Zn2 Ni1 Zn3 5_555 . 5_455 63.628(15) ?
Zn2 Ni1 Zn3 5_555 . 30_455 124.11(2) ?
Zn2 Ni1 Zn3 5_555 . 9_545 167.41(2) ?
Zn2 Ni1 Zn3 5_555 . 34_545 59.648(17) ?
Zn2 Ni1 Co1 5_555 . . 0 ?
Zn2 Ni1 Zn3 9_555 . 1_554 167.41(2) ?
Zn2 Ni1 Zn3 9_555 . 26_554 59.648(17) ?
Zn2 Ni1 Zn3 9_555 . 5_455 63.628(15) ?
Zn2 Ni1 Zn3 9_555 . 30_455 124.11(2) ?
Zn2 Ni1 Zn3 9_555 . 9_545 63.628(15) ?
Zn2 Ni1 Zn3 9_555 . 34_545 124.11(2) ?
Zn2 Ni1 Co1 9_555 . . 0 ?
Zn3 Ni1 Zn3 1_554 . 26_554 132.94(2) ?
Zn3 Ni1 Zn3 1_554 . 5_455 119.12(2) ?
Zn3 Ni1 Zn3 1_554 . 30_455 64.231(16) ?
Zn3 Ni1 Zn3 1_554 . 9_545 119.12(2) ?
Zn3 Ni1 Zn3 1_554 . 34_545 64.231(16) ?
Zn3 Ni1 Co1 1_554 . . 0 ?
Zn3 Ni1 Zn3 26_554 . 5_455 64.231(16) ?
Zn3 Ni1 Zn3 26_554 . 30_455 80.665(17) ?
Zn3 Ni1 Zn3 26_554 . 9_545 64.231(16) ?
Zn3 Ni1 Zn3 26_554 . 34_545 80.665(17) ?
Zn3 Ni1 Co1 26_554 . . 0 ?
Zn3 Ni1 Zn3 5_455 . 30_455 132.94(2) ?
Zn3 Ni1 Zn3 5_455 . 9_545 119.12(2) ?
Zn3 Ni1 Zn3 5_455 . 34_545 64.231(16) ?
Zn3 Ni1 Co1 5_455 . . 0 ?
Zn3 Ni1 Zn3 30_455 . 9_545 64.231(16) ?
Zn3 Ni1 Zn3 30_455 . 34_545 80.665(17) ?
Zn3 Ni1 Co1 30_455 . . 0 ?
Zn3 Ni1 Zn3 9_545 . 34_545 132.94(2) ?
Zn3 Ni1 Co1 9_545 . . 0 ?
Zn3 Ni1 Co1 34_545 . . 0 ?

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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
? ? ? ? ? ? ? ? ? ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
? ? ? ? ? ? ? ? ? ? ?


####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_I_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2307993'
loop_
_audit_author_name
_audit_author_address
'Partha Pratim Jana'
; IIT KHARAGPUR
India
;
_audit_update_record             
;
2024-05-21 deposited with the CCDC.	2024-08-06 downloaded from the CCDC.
;
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_iupac          ?
_chemical_formula_sum            'Co1.4 Ni0.6 Zn11'
_chemical_formula_weight         836.9
_chemical_melting_point          ?
_chemical_compound_source        ?
_chemical_absolute_configuration ?

#=======================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting           cubic
_symmetry_space_group_name_H-M   'I -4 3 m'
_symmetry_space_group_name_Hall  'I -4;2;3'
_symmetry_Int_Tables_number      217

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 -x,y,-z
4 x,-y,-z
5 z,x,y
6 z,-x,-y
7 -z,-x,y
8 -z,x,-y
9 y,z,x
10 -y,z,-x
11 y,-z,-x
12 -y,-z,x
13 y,x,z
14 -y,-x,z
15 y,-x,-z
16 -y,x,-z
17 x,z,y
18 -x,z,-y
19 -x,-z,y
20 x,-z,-y
21 z,y,x
22 z,-y,-x
23 -z,y,-x
24 -z,-y,x
25 x+1/2,y+1/2,z+1/2
26 -x+1/2,-y+1/2,z+1/2
27 -x+1/2,y+1/2,-z+1/2
28 x+1/2,-y+1/2,-z+1/2
29 z+1/2,x+1/2,y+1/2
30 z+1/2,-x+1/2,-y+1/2
31 -z+1/2,-x+1/2,y+1/2
32 -z+1/2,x+1/2,-y+1/2
33 y+1/2,z+1/2,x+1/2
34 -y+1/2,z+1/2,-x+1/2
35 y+1/2,-z+1/2,-x+1/2
36 -y+1/2,-z+1/2,x+1/2
37 y+1/2,x+1/2,z+1/2
38 -y+1/2,-x+1/2,z+1/2
39 y+1/2,-x+1/2,-z+1/2
40 -y+1/2,x+1/2,-z+1/2
41 x+1/2,z+1/2,y+1/2
42 -x+1/2,z+1/2,-y+1/2
43 -x+1/2,-z+1/2,y+1/2
44 x+1/2,-z+1/2,-y+1/2
45 z+1/2,y+1/2,x+1/2
46 z+1/2,-y+1/2,-x+1/2
47 -z+1/2,y+1/2,-x+1/2
48 -z+1/2,-y+1/2,x+1/2

_cell_length_a                   8.9778(11)
_cell_length_b                   8.9778(11)
_cell_length_c                   8.9778(11)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     723.62(15)

loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
_twin_individual_twin_matrix_11
_twin_individual_twin_matrix_12
_twin_individual_twin_matrix_13
_twin_individual_twin_matrix_21
_twin_individual_twin_matrix_22
_twin_individual_twin_matrix_23
_twin_individual_twin_matrix_31
_twin_individual_twin_matrix_32
_twin_individual_twin_matrix_33
? ? ? ? ? ? ? ? ? ? ?

_cell_formula_units_Z            4

_cell_measurement_reflns_used    4798
_cell_measurement_theta_min      3.21
_cell_measurement_theta_max      35.00
_cell_measurement_temperature    293
_cell_special_details            
; ?
;

_exptl_crystal_density_diffrn    7.682
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             1538

_exptl_absorpt_coefficient_mu    40.251
_exptl_crystal_description       rod
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_exptl_crystal_size_rad          ?
_exptl_crystal_colour            grey
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_correction_T_min  0.4019
_exptl_absorpt_correction_T_max  0.7469
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
? ? ? ?

#=======================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details           ?

_diffrn_ambient_temperature      293
_diffrn_source                   ?
_diffrn_source_power             ?
_diffrn_source_voltage           ?
_diffrn_source_current           ?
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker Photon II'
_diffrn_detector                 ?
_diffrn_detector_area_resol_mean ?
_diffrn_measurement_method       'Bruker Photon II'
_diffrn_measurement_specimen_support ?

_diffrn_reflns_number            6784
_diffrn_reflns_theta_min         3.21
_diffrn_reflns_theta_max         35
_diffrn_reflns_theta_full        35
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measured_fraction_theta_full 0.99
_diffrn_reflns_av_R_equivalents  0.0366
_diffrn_reflns_av_unetI/netI     0.0133
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_reduction_process ?

_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?

_diffrn_radiation_probe          X-ray

#=======================================================================

# 8. REFINEMENT DATA

_refine_special_details          
; ?
;

_reflns_number_total             328
_reflns_number_gt                327
_reflns_threshold_expression     I>3σ(I)

_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0088
_refine_ls_wR_factor_gt          0.0278
_refine_ls_R_factor_all          0.0089
_refine_ls_wR_factor_ref         0.0278
_refine_ls_goodness_of_fit_ref   1.06
_refine_ls_goodness_of_fit_gt    1.06
_refine_ls_restrained_S_gt       ?
_refine_ls_restrained_S_all      ?
_refine_ls_number_reflns         328
_refine_ls_number_parameters     18
_refine_ls_number_restraints     0
_refine_ls_number_constraints    3
_refine_ls_weighting_scheme      sigma
_refine_ls_weighting_details     w=1/(σ²(I)+0.0004I²)
_refine_ls_hydrogen_treatment    ?
_refine_ls_shift/su_max          0.0148
_refine_ls_shift/su_mean         0.0039
_refine_diff_density_max         0.30
_refine_diff_density_min         -0.27
_refine_ls_extinction_method     
'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_extinction_coef       1520(70)
_refine_ls_extinction_expression ?
_refine_ls_abs_structure_details 
;  139 of Friedel pairs used in the refinement
;
_refine_ls_abs_structure_Flack   ?
_refine_ls_abs_structure_Rogers  ?

loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Co 0.3494 0.9721 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Ni 0.3393 1.1124 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Zn 0.2839 1.4301 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  ?
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_restr_distance_atom_site_label_1
_restr_distance_site_symmetry_1
_restr_distance_atom_site_label_2
_restr_distance_site_symmetry_2
_restr_distance_target
_restr_distance_target_weight_param
? ? ? ? ? ?

loop_
_restr_angle_atom_site_label_1
_restr_angle_site_symmetry_1
_restr_angle_atom_site_label_2
_restr_angle_site_symmetry_2
_restr_angle_atom_site_label_3
_restr_angle_site_symmetry_3
_restr_angle_target
_restr_angle_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_torsion_atom_site_label_1
_restr_torsion_site_symmetry_1
_restr_torsion_atom_site_label_2
_restr_torsion_site_symmetry_2
_restr_torsion_atom_site_label_3
_restr_torsion_site_symmetry_3
_restr_torsion_atom_site_label_4
_restr_torsion_site_symmetry_4
_restr_torsion_angle_target
_restr_torsion_weight_param
? ? ? ? ? ? ? ? ? ?

loop_
_restr_equal_distance_atom_site_label_1
_restr_equal_distance_site_symmetry_1
_restr_equal_distance_atom_site_label_2
_restr_equal_distance_site_symmetry_2
_restr_equal_distance_class_class_id
_restr_equal_distance_class_target_weight_param
? ? ? ? ? ?

loop_
_restr_equal_angle_atom_site_label_1
_restr_equal_angle_site_symmetry_1
_restr_equal_angle_atom_site_label_2
_restr_equal_angle_site_symmetry_2
_restr_equal_angle_atom_site_label_3
_restr_equal_angle_site_symmetry_3
_restr_equal_angle_class_class_id
_restr_equal_angle_class_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_equal_torsion_atom_site_label_1
_restr_equal_torsion_site_symmetry_1
_restr_equal_torsion_atom_site_label_2
_restr_equal_torsion_site_symmetry_2
_restr_equal_torsion_atom_site_label_3
_restr_equal_torsion_site_symmetry_3
_restr_equal_torsion_atom_site_label_4
_restr_equal_torsion_site_symmetry_4
_restr_equal_torsion_class_class_id
_restr_equal_torsion_class_target_weight_param
? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_site_symmetry_multiplicity
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.60388(3) 0.60388(3) 0.60388(3) Uani 0.00981(5) 8 1 d . . .
Zn2 Zn 0.64590(4) 0 0 Uani 0.00976(7) 12 1 d . . .
Zn3 Zn 0.69425(2) 0.69425(2) 0.04671(3) Uani 0.01109(6) 24 1 d . . .
Co1 Co 0.82791(3) 0.82791(3) 0.82791(3) Uani 0.00638(5) 8 0.7 d . . .
Ni1 Ni 0.82791(3) 0.82791(3) 0.82791(3) Uani 0.00638(5) 8 0.3 d . . .


loop_
_jana_atom_site_ADP_C_label
_jana_atom_site_ADP_C_type_symbol
_jana_atom_site_ADP_C_111
_jana_atom_site_ADP_C_112
_jana_atom_site_ADP_C_113
_jana_atom_site_ADP_C_122
_jana_atom_site_ADP_C_123
_jana_atom_site_ADP_C_133
_jana_atom_site_ADP_C_222
_jana_atom_site_ADP_C_223
_jana_atom_site_ADP_C_233
_jana_atom_site_ADP_C_333
? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_D_label
_jana_atom_site_ADP_D_type_symbol
_jana_atom_site_ADP_D_1111
_jana_atom_site_ADP_D_1112
_jana_atom_site_ADP_D_1113
_jana_atom_site_ADP_D_1122
_jana_atom_site_ADP_D_1123
_jana_atom_site_ADP_D_1133
_jana_atom_site_ADP_D_1222
_jana_atom_site_ADP_D_1223
_jana_atom_site_ADP_D_1233
_jana_atom_site_ADP_D_1333
_jana_atom_site_ADP_D_2222
_jana_atom_site_ADP_D_2223
_jana_atom_site_ADP_D_2233
_jana_atom_site_ADP_D_2333
_jana_atom_site_ADP_D_3333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_E_label
_jana_atom_site_ADP_E_type_symbol
_jana_atom_site_ADP_E_11111
_jana_atom_site_ADP_E_11112
_jana_atom_site_ADP_E_11113
_jana_atom_site_ADP_E_11122
_jana_atom_site_ADP_E_11123
_jana_atom_site_ADP_E_11133
_jana_atom_site_ADP_E_11222
_jana_atom_site_ADP_E_11223
_jana_atom_site_ADP_E_11233
_jana_atom_site_ADP_E_11333
_jana_atom_site_ADP_E_12222
_jana_atom_site_ADP_E_12223
_jana_atom_site_ADP_E_12233
_jana_atom_site_ADP_E_12333
_jana_atom_site_ADP_E_13333
_jana_atom_site_ADP_E_22222
_jana_atom_site_ADP_E_22223
_jana_atom_site_ADP_E_22233
_jana_atom_site_ADP_E_22333
_jana_atom_site_ADP_E_23333
_jana_atom_site_ADP_E_33333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_F_label
_jana_atom_site_ADP_F_type_symbol
_jana_atom_site_ADP_F_111111
_jana_atom_site_ADP_F_111112
_jana_atom_site_ADP_F_111113
_jana_atom_site_ADP_F_111122
_jana_atom_site_ADP_F_111123
_jana_atom_site_ADP_F_111133
_jana_atom_site_ADP_F_111222
_jana_atom_site_ADP_F_111223
_jana_atom_site_ADP_F_111233
_jana_atom_site_ADP_F_111333
_jana_atom_site_ADP_F_112222
_jana_atom_site_ADP_F_112223
_jana_atom_site_ADP_F_112233
_jana_atom_site_ADP_F_112333
_jana_atom_site_ADP_F_113333
_jana_atom_site_ADP_F_122222
_jana_atom_site_ADP_F_122223
_jana_atom_site_ADP_F_122233
_jana_atom_site_ADP_F_122333
_jana_atom_site_ADP_F_123333
_jana_atom_site_ADP_F_133333
_jana_atom_site_ADP_F_222222
_jana_atom_site_ADP_F_222223
_jana_atom_site_ADP_F_222233
_jana_atom_site_ADP_F_222333
_jana_atom_site_ADP_F_223333
_jana_atom_site_ADP_F_233333
_jana_atom_site_ADP_F_333333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 10. MOLECULAR GEOMETRY


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Zn1 Zn1 . 2_665 2.6378(6) ?
Zn1 Zn1 . 3_656 2.6378(6) ?
Zn1 Zn1 . 4_566 2.6378(6) ?
Zn1 Zn2 . 26_655 2.6050(6) ?
Zn1 Zn2 . 30_565 2.6050(6) ?
Zn1 Zn2 . 34_556 2.6050(6) ?
Zn1 Zn3 . 26_665 2.6139(5) ?
Zn1 Zn3 . 30_566 2.6139(5) ?
Zn1 Zn3 . 34_656 2.6139(5) ?
Zn1 Co1 . 26_664 2.6246(7) ?
Zn1 Co1 . 27_646 2.6246(7) ?
Zn1 Co1 . 28_466 2.6246(7) ?
Zn1 Ni1 . 26_664 2.6246(7) ?
Zn1 Ni1 . 27_646 2.6246(7) ?
Zn1 Ni1 . 28_466 2.6246(7) ?
Zn2 Zn2 . 2_655 2.6197(8) ?
Zn2 Zn3 . 1_545 2.8105(7) ?
Zn2 Zn3 . 4_565 2.8105(7) ?
Zn2 Zn3 . 29_544 2.6221(5) ?
Zn2 Zn3 . 30_555 2.6221(5) ?
Zn2 Zn3 . 9_554 2.8105(7) ?
Zn2 Zn3 . 11_556 2.8105(7) ?
Zn2 Co1 . 1_544 2.7284(5) ?
Zn2 Co1 . 4_566 2.7284(5) ?
Zn2 Ni1 . 1_544 2.7284(5) ?
Zn2 Ni1 . 4_566 2.7284(5) ?
Zn3 Zn3 . 30_565 2.7270(6) ?
Zn3 Zn3 . 31_564 2.7270(6) ?
Zn3 Zn3 . 34_655 2.7270(6) ?
Zn3 Zn3 . 36_654 2.7270(6) ?
Zn3 Co1 . 1_554 2.5959(5) ?
Zn3 Co1 . 26_664 2.5402(7) ?
Zn3 Ni1 . 1_554 2.5959(5) ?
Zn3 Ni1 . 26_664 2.5402(7) ?
Co1 Ni1 . . 0 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Zn1 Zn1 Zn1 2_665 . 3_656 60.000(11) ?
Zn1 Zn1 Zn1 2_665 . 4_566 60.000(11) ?
Zn1 Zn1 Zn2 2_665 . 26_655 110.893(14) ?
Zn1 Zn1 Zn2 2_665 . 30_565 110.893(14) ?
Zn1 Zn1 Zn2 2_665 . 34_556 59.582(10) ?
Zn1 Zn1 Zn3 2_665 . 26_665 168.676(14) ?
Zn1 Zn1 Zn3 2_665 . 30_566 110.574(14) ?
Zn1 Zn1 Zn3 2_665 . 34_656 110.574(14) ?
Zn1 Zn1 Co1 2_665 . 26_664 109.267(13) ?
Zn1 Zn1 Co1 2_665 . 27_646 59.833(12) ?
Zn1 Zn1 Co1 2_665 . 28_466 59.833(12) ?
Zn1 Zn1 Ni1 2_665 . 26_664 109.267(13) ?
Zn1 Zn1 Ni1 2_665 . 27_646 59.833(12) ?
Zn1 Zn1 Ni1 2_665 . 28_466 59.833(12) ?
Zn1 Zn1 Zn1 3_656 . 4_566 60.000(11) ?
Zn1 Zn1 Zn2 3_656 . 26_655 110.893(14) ?
Zn1 Zn1 Zn2 3_656 . 30_565 59.582(10) ?
Zn1 Zn1 Zn2 3_656 . 34_556 110.893(14) ?
Zn1 Zn1 Zn3 3_656 . 26_665 110.574(14) ?
Zn1 Zn1 Zn3 3_656 . 30_566 110.574(14) ?
Zn1 Zn1 Zn3 3_656 . 34_656 168.676(14) ?
Zn1 Zn1 Co1 3_656 . 26_664 59.833(12) ?
Zn1 Zn1 Co1 3_656 . 27_646 109.267(13) ?
Zn1 Zn1 Co1 3_656 . 28_466 59.833(12) ?
Zn1 Zn1 Ni1 3_656 . 26_664 59.833(12) ?
Zn1 Zn1 Ni1 3_656 . 27_646 109.267(13) ?
Zn1 Zn1 Ni1 3_656 . 28_466 59.833(12) ?
Zn1 Zn1 Zn2 4_566 . 26_655 59.582(10) ?
Zn1 Zn1 Zn2 4_566 . 30_565 110.893(14) ?
Zn1 Zn1 Zn2 4_566 . 34_556 110.893(14) ?
Zn1 Zn1 Zn3 4_566 . 26_665 110.574(14) ?
Zn1 Zn1 Zn3 4_566 . 30_566 168.676(14) ?
Zn1 Zn1 Zn3 4_566 . 34_656 110.574(14) ?
Zn1 Zn1 Co1 4_566 . 26_664 59.833(12) ?
Zn1 Zn1 Co1 4_566 . 27_646 59.833(12) ?
Zn1 Zn1 Co1 4_566 . 28_466 109.267(13) ?
Zn1 Zn1 Ni1 4_566 . 26_664 59.833(12) ?
Zn1 Zn1 Ni1 4_566 . 27_646 59.833(12) ?
Zn1 Zn1 Ni1 4_566 . 28_466 109.267(13) ?
Zn2 Zn1 Zn2 26_655 . 30_565 119.294(11) ?
Zn2 Zn1 Zn2 26_655 . 34_556 119.294(11) ?
Zn2 Zn1 Zn3 26_655 . 26_665 65.167(11) ?
Zn2 Zn1 Zn3 26_655 . 30_566 131.742(13) ?
Zn2 Zn1 Zn3 26_655 . 34_656 65.167(11) ?
Zn2 Zn1 Co1 26_655 . 26_664 62.894(9) ?
Zn2 Zn1 Co1 26_655 . 27_646 62.894(9) ?
Zn2 Zn1 Co1 26_655 . 28_466 168.849(14) ?
Zn2 Zn1 Ni1 26_655 . 26_664 62.894(9) ?
Zn2 Zn1 Ni1 26_655 . 27_646 62.894(9) ?
Zn2 Zn1 Ni1 26_655 . 28_466 168.849(14) ?
Zn2 Zn1 Zn2 30_565 . 34_556 119.294(11) ?
Zn2 Zn1 Zn3 30_565 . 26_665 65.167(11) ?
Zn2 Zn1 Zn3 30_565 . 30_566 65.167(11) ?
Zn2 Zn1 Zn3 30_565 . 34_656 131.742(13) ?
Zn2 Zn1 Co1 30_565 . 26_664 62.894(9) ?
Zn2 Zn1 Co1 30_565 . 27_646 168.849(14) ?
Zn2 Zn1 Co1 30_565 . 28_466 62.894(9) ?
Zn2 Zn1 Ni1 30_565 . 26_664 62.894(9) ?
Zn2 Zn1 Ni1 30_565 . 27_646 168.849(14) ?
Zn2 Zn1 Ni1 30_565 . 28_466 62.894(9) ?
Zn2 Zn1 Zn3 34_556 . 26_665 131.742(13) ?
Zn2 Zn1 Zn3 34_556 . 30_566 65.167(11) ?
Zn2 Zn1 Zn3 34_556 . 34_656 65.167(11) ?
Zn2 Zn1 Co1 34_556 . 26_664 168.849(14) ?
Zn2 Zn1 Co1 34_556 . 27_646 62.894(9) ?
Zn2 Zn1 Co1 34_556 . 28_466 62.894(9) ?
Zn2 Zn1 Ni1 34_556 . 26_664 168.849(14) ?
Zn2 Zn1 Ni1 34_556 . 27_646 62.894(9) ?
Zn2 Zn1 Ni1 34_556 . 28_466 62.894(9) ?
Zn3 Zn1 Zn3 26_665 . 30_566 77.969(12) ?
Zn3 Zn1 Zn3 26_665 . 34_656 77.969(12) ?
Zn3 Zn1 Co1 26_665 . 26_664 59.409(10) ?
Zn3 Zn1 Co1 26_665 . 27_646 122.585(14) ?
Zn3 Zn1 Co1 26_665 . 28_466 122.585(14) ?
Zn3 Zn1 Ni1 26_665 . 26_664 59.409(10) ?
Zn3 Zn1 Ni1 26_665 . 27_646 122.585(14) ?
Zn3 Zn1 Ni1 26_665 . 28_466 122.585(14) ?
Zn3 Zn1 Zn3 30_566 . 34_656 77.969(12) ?
Zn3 Zn1 Co1 30_566 . 26_664 122.585(14) ?
Zn3 Zn1 Co1 30_566 . 27_646 122.585(14) ?
Zn3 Zn1 Co1 30_566 . 28_466 59.409(10) ?
Zn3 Zn1 Ni1 30_566 . 26_664 122.585(14) ?
Zn3 Zn1 Ni1 30_566 . 27_646 122.585(14) ?
Zn3 Zn1 Ni1 30_566 . 28_466 59.409(10) ?
Zn3 Zn1 Co1 34_656 . 26_664 122.585(14) ?
Zn3 Zn1 Co1 34_656 . 27_646 59.409(10) ?
Zn3 Zn1 Co1 34_656 . 28_466 122.585(14) ?
Zn3 Zn1 Ni1 34_656 . 26_664 122.585(14) ?
Zn3 Zn1 Ni1 34_656 . 27_646 59.409(10) ?
Zn3 Zn1 Ni1 34_656 . 28_466 122.585(14) ?
Co1 Zn1 Co1 26_664 . 27_646 112.710(13) ?
Co1 Zn1 Co1 26_664 . 28_466 112.710(13) ?
Co1 Zn1 Ni1 26_664 . 26_664 0 ?
Co1 Zn1 Ni1 26_664 . 27_646 112.710(13) ?
Co1 Zn1 Ni1 26_664 . 28_466 112.710(13) ?
Co1 Zn1 Co1 27_646 . 28_466 112.710(13) ?
Co1 Zn1 Ni1 27_646 . 26_664 112.710(13) ?
Co1 Zn1 Ni1 27_646 . 27_646 0 ?
Co1 Zn1 Ni1 27_646 . 28_466 112.710(13) ?
Co1 Zn1 Ni1 28_466 . 26_664 112.710(13) ?
Co1 Zn1 Ni1 28_466 . 27_646 112.710(13) ?
Co1 Zn1 Ni1 28_466 . 28_466 0 ?
Ni1 Zn1 Ni1 26_664 . 27_646 112.710(13) ?
Ni1 Zn1 Ni1 26_664 . 28_466 112.710(13) ?
Ni1 Zn1 Ni1 27_646 . 28_466 112.710(13) ?
Zn1 Zn2 Zn1 26_654 . 27_645 60.836(14) ?
Zn1 Zn2 Zn2 26_654 . 2_655 149.582(8) ?
Zn1 Zn2 Zn3 26_654 . 1_545 57.570(8) ?
Zn1 Zn2 Zn3 26_654 . 4_565 105.658(13) ?
Zn1 Zn2 Zn3 26_654 . 29_544 107.030(11) ?
Zn1 Zn2 Zn3 26_654 . 30_555 107.030(11) ?
Zn1 Zn2 Zn3 26_654 . 9_554 105.658(13) ?
Zn1 Zn2 Zn3 26_654 . 11_556 57.570(8) ?
Zn1 Zn2 Co1 26_654 . 1_544 58.904(12) ?
Zn1 Zn2 Co1 26_654 . 4_566 58.904(12) ?
Zn1 Zn2 Ni1 26_654 . 1_544 58.904(12) ?
Zn1 Zn2 Ni1 26_654 . 4_566 58.904(12) ?
Zn1 Zn2 Zn2 27_645 . 2_655 149.582(8) ?
Zn1 Zn2 Zn3 27_645 . 1_545 105.658(13) ?
Zn1 Zn2 Zn3 27_645 . 4_565 57.570(8) ?
Zn1 Zn2 Zn3 27_645 . 29_544 107.030(11) ?
Zn1 Zn2 Zn3 27_645 . 30_555 107.030(11) ?
Zn1 Zn2 Zn3 27_645 . 9_554 57.570(8) ?
Zn1 Zn2 Zn3 27_645 . 11_556 105.658(13) ?
Zn1 Zn2 Co1 27_645 . 1_544 58.904(12) ?
Zn1 Zn2 Co1 27_645 . 4_566 58.904(12) ?
Zn1 Zn2 Ni1 27_645 . 1_544 58.904(12) ?
Zn1 Zn2 Ni1 27_645 . 4_566 58.904(12) ?
Zn2 Zn2 Zn3 2_655 . 1_545 98.885(8) ?
Zn2 Zn2 Zn3 2_655 . 4_565 98.885(8) ?
Zn2 Zn2 Zn3 2_655 . 29_544 70.147(10) ?
Zn2 Zn2 Zn3 2_655 . 30_555 70.147(10) ?
Zn2 Zn2 Zn3 2_655 . 9_554 98.885(8) ?
Zn2 Zn2 Zn3 2_655 . 11_556 98.885(8) ?
Zn2 Zn2 Co1 2_655 . 1_544 126.792(9) ?
Zn2 Zn2 Co1 2_655 . 4_566 126.792(9) ?
Zn2 Zn2 Ni1 2_655 . 1_544 126.792(9) ?
Zn2 Zn2 Ni1 2_655 . 4_566 126.792(9) ?
Zn3 Zn2 Zn3 1_545 . 4_565 162.231(16) ?
Zn3 Zn2 Zn3 1_545 . 29_544 127.069(9) ?
Zn3 Zn2 Zn3 1_545 . 30_555 60.140(9) ?
Zn3 Zn2 Zn3 1_545 . 9_554 105.521(8) ?
Zn3 Zn2 Zn3 1_545 . 11_556 71.621(8) ?
Zn3 Zn2 Co1 1_545 . 1_544 55.871(9) ?
Zn3 Zn2 Co1 1_545 . 4_566 112.090(12) ?
Zn3 Zn2 Ni1 1_545 . 1_544 55.871(9) ?
Zn3 Zn2 Ni1 1_545 . 4_566 112.090(12) ?
Zn3 Zn2 Zn3 4_565 . 29_544 60.140(9) ?
Zn3 Zn2 Zn3 4_565 . 30_555 127.069(9) ?
Zn3 Zn2 Zn3 4_565 . 9_554 71.621(8) ?
Zn3 Zn2 Zn3 4_565 . 11_556 105.521(8) ?
Zn3 Zn2 Co1 4_565 . 1_544 112.090(12) ?
Zn3 Zn2 Co1 4_565 . 4_566 55.871(9) ?
Zn3 Zn2 Ni1 4_565 . 1_544 112.090(12) ?
Zn3 Zn2 Ni1 4_565 . 4_566 55.871(9) ?
Zn3 Zn2 Zn3 29_544 . 30_555 140.294(18) ?
Zn3 Zn2 Zn3 29_544 . 9_554 127.069(9) ?
Zn3 Zn2 Zn3 29_544 . 11_556 60.140(9) ?
Zn3 Zn2 Co1 29_544 . 1_544 163.062(16) ?
Zn3 Zn2 Co1 29_544 . 4_566 56.645(11) ?
Zn3 Zn2 Ni1 29_544 . 1_544 163.062(16) ?
Zn3 Zn2 Ni1 29_544 . 4_566 56.645(11) ?
Zn3 Zn2 Zn3 30_555 . 9_554 60.140(9) ?
Zn3 Zn2 Zn3 30_555 . 11_556 127.069(9) ?
Zn3 Zn2 Co1 30_555 . 1_544 56.645(11) ?
Zn3 Zn2 Co1 30_555 . 4_566 163.062(16) ?
Zn3 Zn2 Ni1 30_555 . 1_544 56.645(11) ?
Zn3 Zn2 Ni1 30_555 . 4_566 163.062(16) ?
Zn3 Zn2 Zn3 9_554 . 11_556 162.231(16) ?
Zn3 Zn2 Co1 9_554 . 1_544 55.871(9) ?
Zn3 Zn2 Co1 9_554 . 4_566 112.090(12) ?
Zn3 Zn2 Ni1 9_554 . 1_544 55.871(9) ?
Zn3 Zn2 Ni1 9_554 . 4_566 112.090(12) ?
Zn3 Zn2 Co1 11_556 . 1_544 112.090(12) ?
Zn3 Zn2 Co1 11_556 . 4_566 55.871(9) ?
Zn3 Zn2 Ni1 11_556 . 1_544 112.090(12) ?
Zn3 Zn2 Ni1 11_556 . 4_566 55.871(9) ?
Co1 Zn2 Co1 1_544 . 4_566 106.417(17) ?
Co1 Zn2 Ni1 1_544 . 1_544 0 ?
Co1 Zn2 Ni1 1_544 . 4_566 106.417(17) ?
Co1 Zn2 Ni1 4_566 . 1_544 106.417(17) ?
Co1 Zn2 Ni1 4_566 . 4_566 0 ?
Ni1 Zn2 Ni1 1_544 . 4_566 106.417(17) ?
Zn1 Zn3 Zn2 26_664 . 1_565 57.263(12) ?
Zn1 Zn3 Zn2 26_664 . 5_655 57.263(12) ?
Zn1 Zn3 Zn2 26_664 . 33_554 148.823(15) ?
Zn1 Zn3 Zn3 26_664 . 30_565 103.770(12) ?
Zn1 Zn3 Zn3 26_664 . 31_564 101.545(13) ?
Zn1 Zn3 Zn3 26_664 . 34_655 103.770(12) ?
Zn1 Zn3 Zn3 26_664 . 36_654 101.545(13) ?
Zn1 Zn3 Co1 26_664 . 1_554 60.500(11) ?
Zn1 Zn3 Co1 26_664 . 26_664 85.035(11) ?
Zn1 Zn3 Ni1 26_664 . 1_554 60.500(11) ?
Zn1 Zn3 Ni1 26_664 . 26_664 85.035(11) ?
Zn2 Zn3 Zn2 1_565 . 5_655 106.226(12) ?
Zn2 Zn3 Zn2 1_565 . 33_554 126.692(11) ?
Zn2 Zn3 Zn3 1_565 . 30_565 56.502(7) ?
Zn2 Zn3 Zn3 1_565 . 31_564 65.885(9) ?
Zn2 Zn3 Zn3 1_565 . 34_655 114.376(12) ?
Zn2 Zn3 Zn3 1_565 . 36_654 154.683(12) ?
Zn2 Zn3 Co1 1_565 . 1_554 60.463(9) ?
Zn2 Zn3 Co1 1_565 . 26_664 102.280(10) ?
Zn2 Zn3 Ni1 1_565 . 1_554 60.463(9) ?
Zn2 Zn3 Ni1 1_565 . 26_664 102.280(10) ?
Zn2 Zn3 Zn2 5_655 . 33_554 126.692(11) ?
Zn2 Zn3 Zn3 5_655 . 30_565 114.376(12) ?
Zn2 Zn3 Zn3 5_655 . 31_564 154.683(12) ?
Zn2 Zn3 Zn3 5_655 . 34_655 56.502(7) ?
Zn2 Zn3 Zn3 5_655 . 36_654 65.885(9) ?
Zn2 Zn3 Co1 5_655 . 1_554 60.463(9) ?
Zn2 Zn3 Co1 5_655 . 26_664 102.280(10) ?
Zn2 Zn3 Ni1 5_655 . 1_554 60.463(9) ?
Zn2 Zn3 Ni1 5_655 . 26_664 102.280(10) ?
Zn2 Zn3 Zn3 33_554 . 30_565 100.982(12) ?
Zn2 Zn3 Zn3 33_554 . 31_564 63.357(10) ?
Zn2 Zn3 Zn3 33_554 . 34_655 100.982(12) ?
Zn2 Zn3 Zn3 33_554 . 36_654 63.357(10) ?
Zn2 Zn3 Co1 33_554 . 1_554 150.677(14) ?
Zn2 Zn3 Co1 33_554 . 26_664 63.788(11) ?
Zn2 Zn3 Ni1 33_554 . 1_554 150.677(14) ?
Zn2 Zn3 Ni1 33_554 . 26_664 63.788(11) ?
Zn3 Zn3 Zn3 30_565 . 31_564 82.256(11) ?
Zn3 Zn3 Zn3 30_565 . 34_655 74.175(12) ?
Zn3 Zn3 Zn3 30_565 . 36_654 148.742(11) ?
Zn3 Zn3 Co1 30_565 . 1_554 56.944(12) ?
Zn3 Zn3 Co1 30_565 . 26_664 141.180(12) ?
Zn3 Zn3 Ni1 30_565 . 1_554 56.944(12) ?
Zn3 Zn3 Ni1 30_565 . 26_664 141.180(12) ?
Zn3 Zn3 Zn3 31_564 . 34_655 148.742(11) ?
Zn3 Zn3 Zn3 31_564 . 36_654 110.272(12) ?
Zn3 Zn3 Co1 31_564 . 1_554 124.374(11) ?
Zn3 Zn3 Co1 31_564 . 26_664 58.927(10) ?
Zn3 Zn3 Ni1 31_564 . 1_554 124.374(11) ?
Zn3 Zn3 Ni1 31_564 . 26_664 58.927(10) ?
Zn3 Zn3 Zn3 34_655 . 36_654 82.256(11) ?
Zn3 Zn3 Co1 34_655 . 1_554 56.944(12) ?
Zn3 Zn3 Co1 34_655 . 26_664 141.180(12) ?
Zn3 Zn3 Ni1 34_655 . 1_554 56.944(12) ?
Zn3 Zn3 Ni1 34_655 . 26_664 141.180(12) ?
Zn3 Zn3 Co1 36_654 . 1_554 124.374(11) ?
Zn3 Zn3 Co1 36_654 . 26_664 58.927(10) ?
Zn3 Zn3 Ni1 36_654 . 1_554 124.374(11) ?
Zn3 Zn3 Ni1 36_654 . 26_664 58.927(10) ?
Co1 Zn3 Co1 1_554 . 26_664 145.535(12) ?
Co1 Zn3 Ni1 1_554 . 1_554 0 ?
Co1 Zn3 Ni1 1_554 . 26_664 145.535(12) ?
Co1 Zn3 Ni1 26_664 . 1_554 145.535(12) ?
Co1 Zn3 Ni1 26_664 . 26_664 0 ?
Ni1 Zn3 Ni1 1_554 . 26_664 145.535(12) ?
Zn1 Co1 Zn1 26_665 . 27_656 60.334(10) ?
Zn1 Co1 Zn1 26_665 . 28_566 60.334(10) ?
Zn1 Co1 Zn2 26_665 . 1_566 58.202(11) ?
Zn1 Co1 Zn2 26_665 . 5_656 58.202(11) ?
Zn1 Co1 Zn2 26_665 . 9_665 107.525(14) ?
Zn1 Co1 Zn3 26_665 . 1_556 60.091(12) ?
Zn1 Co1 Zn3 26_665 . 26_665 167.092(14) ?
Zn1 Co1 Zn3 26_665 . 5_655 111.572(14) ?
Zn1 Co1 Zn3 26_665 . 30_566 108.911(12) ?
Zn1 Co1 Zn3 26_665 . 9_565 111.572(14) ?
Zn1 Co1 Zn3 26_665 . 34_656 108.911(12) ?
Zn1 Co1 Ni1 26_665 . . 0 ?
Zn1 Co1 Zn1 27_656 . 28_566 60.334(10) ?
Zn1 Co1 Zn2 27_656 . 1_566 58.202(11) ?
Zn1 Co1 Zn2 27_656 . 5_656 107.525(14) ?
Zn1 Co1 Zn2 27_656 . 9_665 58.202(11) ?
Zn1 Co1 Zn3 27_656 . 1_556 111.572(14) ?
Zn1 Co1 Zn3 27_656 . 26_665 108.911(12) ?
Zn1 Co1 Zn3 27_656 . 5_655 111.572(14) ?
Zn1 Co1 Zn3 27_656 . 30_566 108.911(12) ?
Zn1 Co1 Zn3 27_656 . 9_565 60.091(12) ?
Zn1 Co1 Zn3 27_656 . 34_656 167.092(14) ?
Zn1 Co1 Ni1 27_656 . . 0 ?
Zn1 Co1 Zn2 28_566 . 1_566 107.525(14) ?
Zn1 Co1 Zn2 28_566 . 5_656 58.202(11) ?
Zn1 Co1 Zn2 28_566 . 9_665 58.202(11) ?
Zn1 Co1 Zn3 28_566 . 1_556 111.572(14) ?
Zn1 Co1 Zn3 28_566 . 26_665 108.911(12) ?
Zn1 Co1 Zn3 28_566 . 5_655 60.091(12) ?
Zn1 Co1 Zn3 28_566 . 30_566 167.092(14) ?
Zn1 Co1 Zn3 28_566 . 9_565 111.572(14) ?
Zn1 Co1 Zn3 28_566 . 34_656 108.911(12) ?
Zn1 Co1 Ni1 28_566 . . 0 ?
Zn2 Co1 Zn2 1_566 . 5_656 110.954(13) ?
Zn2 Co1 Zn2 1_566 . 9_665 110.954(13) ?
Zn2 Co1 Zn3 1_566 . 1_556 63.667(11) ?
Zn2 Co1 Zn3 1_566 . 26_665 124.071(12) ?
Zn2 Co1 Zn3 1_566 . 5_655 167.616(14) ?
Zn2 Co1 Zn3 1_566 . 30_566 59.568(11) ?
Zn2 Co1 Zn3 1_566 . 9_565 63.667(11) ?
Zn2 Co1 Zn3 1_566 . 34_656 124.071(12) ?
Zn2 Co1 Ni1 1_566 . . 0 ?
Zn2 Co1 Zn2 5_656 . 9_665 110.954(13) ?
Zn2 Co1 Zn3 5_656 . 1_556 63.667(11) ?
Zn2 Co1 Zn3 5_656 . 26_665 124.071(12) ?
Zn2 Co1 Zn3 5_656 . 5_655 63.667(11) ?
Zn2 Co1 Zn3 5_656 . 30_566 124.071(12) ?
Zn2 Co1 Zn3 5_656 . 9_565 167.616(14) ?
Zn2 Co1 Zn3 5_656 . 34_656 59.568(11) ?
Zn2 Co1 Ni1 5_656 . . 0 ?
Zn2 Co1 Zn3 9_665 . 1_556 167.616(14) ?
Zn2 Co1 Zn3 9_665 . 26_665 59.568(11) ?
Zn2 Co1 Zn3 9_665 . 5_655 63.667(11) ?
Zn2 Co1 Zn3 9_665 . 30_566 124.071(12) ?
Zn2 Co1 Zn3 9_665 . 9_565 63.667(11) ?
Zn2 Co1 Zn3 9_665 . 34_656 124.071(12) ?
Zn2 Co1 Ni1 9_665 . . 0 ?
Zn3 Co1 Zn3 1_556 . 26_665 132.817(14) ?
Zn3 Co1 Zn3 1_556 . 5_655 119.073(13) ?
Zn3 Co1 Zn3 1_556 . 30_566 64.128(10) ?
Zn3 Co1 Zn3 1_556 . 9_565 119.073(13) ?
Zn3 Co1 Zn3 1_556 . 34_656 64.128(10) ?
Zn3 Co1 Ni1 1_556 . . 0 ?
Zn3 Co1 Zn3 26_665 . 5_655 64.128(10) ?
Zn3 Co1 Zn3 26_665 . 30_566 80.688(10) ?
Zn3 Co1 Zn3 26_665 . 9_565 64.128(10) ?
Zn3 Co1 Zn3 26_665 . 34_656 80.688(10) ?
Zn3 Co1 Ni1 26_665 . . 0 ?
Zn3 Co1 Zn3 5_655 . 30_566 132.817(14) ?
Zn3 Co1 Zn3 5_655 . 9_565 119.073(13) ?
Zn3 Co1 Zn3 5_655 . 34_656 64.128(10) ?
Zn3 Co1 Ni1 5_655 . . 0 ?
Zn3 Co1 Zn3 30_566 . 9_565 64.128(10) ?
Zn3 Co1 Zn3 30_566 . 34_656 80.688(10) ?
Zn3 Co1 Ni1 30_566 . . 0 ?
Zn3 Co1 Zn3 9_565 . 34_656 132.817(14) ?
Zn3 Co1 Ni1 9_565 . . 0 ?
Zn3 Co1 Ni1 34_656 . . 0 ?
Zn1 Ni1 Zn1 26_665 . 27_656 60.334(10) ?
Zn1 Ni1 Zn1 26_665 . 28_566 60.334(10) ?
Zn1 Ni1 Zn2 26_665 . 1_566 58.202(11) ?
Zn1 Ni1 Zn2 26_665 . 5_656 58.202(11) ?
Zn1 Ni1 Zn2 26_665 . 9_665 107.525(14) ?
Zn1 Ni1 Zn3 26_665 . 1_556 60.091(12) ?
Zn1 Ni1 Zn3 26_665 . 26_665 167.092(14) ?
Zn1 Ni1 Zn3 26_665 . 5_655 111.572(14) ?
Zn1 Ni1 Zn3 26_665 . 30_566 108.911(12) ?
Zn1 Ni1 Zn3 26_665 . 9_565 111.572(14) ?
Zn1 Ni1 Zn3 26_665 . 34_656 108.911(12) ?
Zn1 Ni1 Co1 26_665 . . 0 ?
Zn1 Ni1 Zn1 27_656 . 28_566 60.334(10) ?
Zn1 Ni1 Zn2 27_656 . 1_566 58.202(11) ?
Zn1 Ni1 Zn2 27_656 . 5_656 107.525(14) ?
Zn1 Ni1 Zn2 27_656 . 9_665 58.202(11) ?
Zn1 Ni1 Zn3 27_656 . 1_556 111.572(14) ?
Zn1 Ni1 Zn3 27_656 . 26_665 108.911(12) ?
Zn1 Ni1 Zn3 27_656 . 5_655 111.572(14) ?
Zn1 Ni1 Zn3 27_656 . 30_566 108.911(12) ?
Zn1 Ni1 Zn3 27_656 . 9_565 60.091(12) ?
Zn1 Ni1 Zn3 27_656 . 34_656 167.092(14) ?
Zn1 Ni1 Co1 27_656 . . 0 ?
Zn1 Ni1 Zn2 28_566 . 1_566 107.525(14) ?
Zn1 Ni1 Zn2 28_566 . 5_656 58.202(11) ?
Zn1 Ni1 Zn2 28_566 . 9_665 58.202(11) ?
Zn1 Ni1 Zn3 28_566 . 1_556 111.572(14) ?
Zn1 Ni1 Zn3 28_566 . 26_665 108.911(12) ?
Zn1 Ni1 Zn3 28_566 . 5_655 60.091(12) ?
Zn1 Ni1 Zn3 28_566 . 30_566 167.092(14) ?
Zn1 Ni1 Zn3 28_566 . 9_565 111.572(14) ?
Zn1 Ni1 Zn3 28_566 . 34_656 108.911(12) ?
Zn1 Ni1 Co1 28_566 . . 0 ?
Zn2 Ni1 Zn2 1_566 . 5_656 110.954(13) ?
Zn2 Ni1 Zn2 1_566 . 9_665 110.954(13) ?
Zn2 Ni1 Zn3 1_566 . 1_556 63.667(11) ?
Zn2 Ni1 Zn3 1_566 . 26_665 124.071(12) ?
Zn2 Ni1 Zn3 1_566 . 5_655 167.616(14) ?
Zn2 Ni1 Zn3 1_566 . 30_566 59.568(11) ?
Zn2 Ni1 Zn3 1_566 . 9_565 63.667(11) ?
Zn2 Ni1 Zn3 1_566 . 34_656 124.071(12) ?
Zn2 Ni1 Co1 1_566 . . 0 ?
Zn2 Ni1 Zn2 5_656 . 9_665 110.954(13) ?
Zn2 Ni1 Zn3 5_656 . 1_556 63.667(11) ?
Zn2 Ni1 Zn3 5_656 . 26_665 124.071(12) ?
Zn2 Ni1 Zn3 5_656 . 5_655 63.667(11) ?
Zn2 Ni1 Zn3 5_656 . 30_566 124.071(12) ?
Zn2 Ni1 Zn3 5_656 . 9_565 167.616(14) ?
Zn2 Ni1 Zn3 5_656 . 34_656 59.568(11) ?
Zn2 Ni1 Co1 5_656 . . 0 ?
Zn2 Ni1 Zn3 9_665 . 1_556 167.616(14) ?
Zn2 Ni1 Zn3 9_665 . 26_665 59.568(11) ?
Zn2 Ni1 Zn3 9_665 . 5_655 63.667(11) ?
Zn2 Ni1 Zn3 9_665 . 30_566 124.071(12) ?
Zn2 Ni1 Zn3 9_665 . 9_565 63.667(11) ?
Zn2 Ni1 Zn3 9_665 . 34_656 124.071(12) ?
Zn2 Ni1 Co1 9_665 . . 0 ?
Zn3 Ni1 Zn3 1_556 . 26_665 132.817(14) ?
Zn3 Ni1 Zn3 1_556 . 5_655 119.073(13) ?
Zn3 Ni1 Zn3 1_556 . 30_566 64.128(10) ?
Zn3 Ni1 Zn3 1_556 . 9_565 119.073(13) ?
Zn3 Ni1 Zn3 1_556 . 34_656 64.128(10) ?
Zn3 Ni1 Co1 1_556 . . 0 ?
Zn3 Ni1 Zn3 26_665 . 5_655 64.128(10) ?
Zn3 Ni1 Zn3 26_665 . 30_566 80.688(10) ?
Zn3 Ni1 Zn3 26_665 . 9_565 64.128(10) ?
Zn3 Ni1 Zn3 26_665 . 34_656 80.688(10) ?
Zn3 Ni1 Co1 26_665 . . 0 ?
Zn3 Ni1 Zn3 5_655 . 30_566 132.817(14) ?
Zn3 Ni1 Zn3 5_655 . 9_565 119.073(13) ?
Zn3 Ni1 Zn3 5_655 . 34_656 64.128(10) ?
Zn3 Ni1 Co1 5_655 . . 0 ?
Zn3 Ni1 Zn3 30_566 . 9_565 64.128(10) ?
Zn3 Ni1 Zn3 30_566 . 34_656 80.688(10) ?
Zn3 Ni1 Co1 30_566 . . 0 ?
Zn3 Ni1 Zn3 9_565 . 34_656 132.817(14) ?
Zn3 Ni1 Co1 9_565 . . 0 ?
Zn3 Ni1 Co1 34_656 . . 0 ?

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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
? ? ? ? ? ? ? ? ? ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
? ? ? ? ? ? ? ? ? ? ?


####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_I_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2307992'
loop_
_audit_author_name
_audit_author_address
'Partha Pratim Jana'
; IIT KHARAGPUR
India
;
_audit_update_record             
;
2024-05-21 deposited with the CCDC.	2024-08-06 downloaded from the CCDC.
;
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_iupac          ?
_chemical_formula_sum            'Co1.1 Ni0.9 Zn11'
_chemical_formula_weight         836.8
_chemical_melting_point          ?
_chemical_compound_source        ?
_chemical_absolute_configuration ?

#=======================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting           cubic
_symmetry_space_group_name_H-M   'I -4 3 m'
_symmetry_space_group_name_Hall  'I -4;2;3'
_symmetry_Int_Tables_number      217

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 -x,y,-z
4 x,-y,-z
5 z,x,y
6 z,-x,-y
7 -z,-x,y
8 -z,x,-y
9 y,z,x
10 -y,z,-x
11 y,-z,-x
12 -y,-z,x
13 y,x,z
14 -y,-x,z
15 y,-x,-z
16 -y,x,-z
17 x,z,y
18 -x,z,-y
19 -x,-z,y
20 x,-z,-y
21 z,y,x
22 z,-y,-x
23 -z,y,-x
24 -z,-y,x
25 x+1/2,y+1/2,z+1/2
26 -x+1/2,-y+1/2,z+1/2
27 -x+1/2,y+1/2,-z+1/2
28 x+1/2,-y+1/2,-z+1/2
29 z+1/2,x+1/2,y+1/2
30 z+1/2,-x+1/2,-y+1/2
31 -z+1/2,-x+1/2,y+1/2
32 -z+1/2,x+1/2,-y+1/2
33 y+1/2,z+1/2,x+1/2
34 -y+1/2,z+1/2,-x+1/2
35 y+1/2,-z+1/2,-x+1/2
36 -y+1/2,-z+1/2,x+1/2
37 y+1/2,x+1/2,z+1/2
38 -y+1/2,-x+1/2,z+1/2
39 y+1/2,-x+1/2,-z+1/2
40 -y+1/2,x+1/2,-z+1/2
41 x+1/2,z+1/2,y+1/2
42 -x+1/2,z+1/2,-y+1/2
43 -x+1/2,-z+1/2,y+1/2
44 x+1/2,-z+1/2,-y+1/2
45 z+1/2,y+1/2,x+1/2
46 z+1/2,-y+1/2,-x+1/2
47 -z+1/2,y+1/2,-x+1/2
48 -z+1/2,-y+1/2,x+1/2

_cell_length_a                   8.9748(11)
_cell_length_b                   8.9748(11)
_cell_length_c                   8.9748(11)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     722.89(15)

loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
_twin_individual_twin_matrix_11
_twin_individual_twin_matrix_12
_twin_individual_twin_matrix_13
_twin_individual_twin_matrix_21
_twin_individual_twin_matrix_22
_twin_individual_twin_matrix_23
_twin_individual_twin_matrix_31
_twin_individual_twin_matrix_32
_twin_individual_twin_matrix_33
? ? ? ? ? ? ? ? ? ? ?

_cell_formula_units_Z            4

_cell_measurement_reflns_used    1685
_cell_measurement_theta_min      3.21
_cell_measurement_theta_max      35.59
_cell_measurement_temperature    293

_cell_special_details            
; ?
;

_exptl_crystal_density_diffrn    7.689
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             1540

_exptl_absorpt_coefficient_mu    40.384
_exptl_crystal_description       box
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_exptl_crystal_size_rad          ?
_exptl_crystal_colour            grey
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_correction_T_min  0.4168
_exptl_absorpt_correction_T_max  0.7470
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
? ? ? ?

#=======================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details           ?

_diffrn_ambient_temperature      293
_diffrn_source                   ?
_diffrn_source_power             ?
_diffrn_source_voltage           ?
_diffrn_source_current           ?
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker Photon II'
_diffrn_detector                 ?
_diffrn_detector_area_resol_mean ?
_diffrn_measurement_method       'Bruker Photon II'
_diffrn_measurement_specimen_support ?

_diffrn_reflns_number            3051
_diffrn_reflns_theta_min         3.21
_diffrn_reflns_theta_max         35.59
_diffrn_reflns_theta_full        35.59
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measured_fraction_theta_full 0.99
_diffrn_reflns_av_R_equivalents  0.0362
_diffrn_reflns_av_unetI/netI     0.0192
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_reduction_process ?

_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?

_diffrn_radiation_probe          X-ray

#=======================================================================

# 8. REFINEMENT DATA

_refine_special_details          
; ?
;

_reflns_number_total             342
_reflns_number_gt                332
_reflns_threshold_expression     I>3σ(I)

_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0137
_refine_ls_wR_factor_gt          0.0333
_refine_ls_R_factor_all          0.0151
_refine_ls_wR_factor_ref         0.0344
_refine_ls_goodness_of_fit_ref   1.04
_refine_ls_goodness_of_fit_gt    1.02
_refine_ls_restrained_S_gt       ?
_refine_ls_restrained_S_all      ?
_refine_ls_number_reflns         342
_refine_ls_number_parameters     18
_refine_ls_number_restraints     0
_refine_ls_number_constraints    3
_refine_ls_weighting_scheme      sigma
_refine_ls_weighting_details     w=1/(σ²(I)+0.0004I²)
_refine_ls_hydrogen_treatment    ?
_refine_ls_shift/su_max          0.0407
_refine_ls_shift/su_mean         0.0104
_refine_diff_density_max         0.69
_refine_diff_density_min         -0.41
_refine_ls_extinction_method     
'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_extinction_coef       420(50)
_refine_ls_extinction_expression ?
_refine_ls_abs_structure_details 
;  146 of Friedel pairs used in the refinement
;
_refine_ls_abs_structure_Flack   ?
_refine_ls_abs_structure_Rogers  ?

loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Co 0.3494 0.9721 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Ni 0.3393 1.1124 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Zn 0.2839 1.4301 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  ?
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_restr_distance_atom_site_label_1
_restr_distance_site_symmetry_1
_restr_distance_atom_site_label_2
_restr_distance_site_symmetry_2
_restr_distance_target
_restr_distance_target_weight_param
? ? ? ? ? ?

loop_
_restr_angle_atom_site_label_1
_restr_angle_site_symmetry_1
_restr_angle_atom_site_label_2
_restr_angle_site_symmetry_2
_restr_angle_atom_site_label_3
_restr_angle_site_symmetry_3
_restr_angle_target
_restr_angle_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_torsion_atom_site_label_1
_restr_torsion_site_symmetry_1
_restr_torsion_atom_site_label_2
_restr_torsion_site_symmetry_2
_restr_torsion_atom_site_label_3
_restr_torsion_site_symmetry_3
_restr_torsion_atom_site_label_4
_restr_torsion_site_symmetry_4
_restr_torsion_angle_target
_restr_torsion_weight_param
? ? ? ? ? ? ? ? ? ?

loop_
_restr_equal_distance_atom_site_label_1
_restr_equal_distance_site_symmetry_1
_restr_equal_distance_atom_site_label_2
_restr_equal_distance_site_symmetry_2
_restr_equal_distance_class_class_id
_restr_equal_distance_class_target_weight_param
? ? ? ? ? ?

loop_
_restr_equal_angle_atom_site_label_1
_restr_equal_angle_site_symmetry_1
_restr_equal_angle_atom_site_label_2
_restr_equal_angle_site_symmetry_2
_restr_equal_angle_atom_site_label_3
_restr_equal_angle_site_symmetry_3
_restr_equal_angle_class_class_id
_restr_equal_angle_class_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_equal_torsion_atom_site_label_1
_restr_equal_torsion_site_symmetry_1
_restr_equal_torsion_atom_site_label_2
_restr_equal_torsion_site_symmetry_2
_restr_equal_torsion_atom_site_label_3
_restr_equal_torsion_site_symmetry_3
_restr_equal_torsion_atom_site_label_4
_restr_equal_torsion_site_symmetry_4
_restr_equal_torsion_class_class_id
_restr_equal_torsion_class_target_weight_param
? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_site_symmetry_multiplicity
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.39590(4) 0.39590(4) 0.39590(4) Uani 0.01154(7) 8 1 d . . .
Zn2 Zn 0.35426(6) 0 0 Uani 0.01109(9) 12 1 d . . .
Zn3 Zn 0.30594(3) 0.30594(3) 0.95365(4) Uani 0.01256(8) 24 1 d . . .
Co1 Co 0.17203(4) 0.17203(4) 0.17203(4) Uani 0.00777(7) 8 0.55 d . . .
Ni1 Ni 0.17203(4) 0.17203(4) 0.17203(4) Uani 0.00777(7) 8 0.45 d . . .


loop_
_jana_atom_site_ADP_C_label
_jana_atom_site_ADP_C_type_symbol
_jana_atom_site_ADP_C_111
_jana_atom_site_ADP_C_112
_jana_atom_site_ADP_C_113
_jana_atom_site_ADP_C_122
_jana_atom_site_ADP_C_123
_jana_atom_site_ADP_C_133
_jana_atom_site_ADP_C_222
_jana_atom_site_ADP_C_223
_jana_atom_site_ADP_C_233
_jana_atom_site_ADP_C_333
? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_D_label
_jana_atom_site_ADP_D_type_symbol
_jana_atom_site_ADP_D_1111
_jana_atom_site_ADP_D_1112
_jana_atom_site_ADP_D_1113
_jana_atom_site_ADP_D_1122
_jana_atom_site_ADP_D_1123
_jana_atom_site_ADP_D_1133
_jana_atom_site_ADP_D_1222
_jana_atom_site_ADP_D_1223
_jana_atom_site_ADP_D_1233
_jana_atom_site_ADP_D_1333
_jana_atom_site_ADP_D_2222
_jana_atom_site_ADP_D_2223
_jana_atom_site_ADP_D_2233
_jana_atom_site_ADP_D_2333
_jana_atom_site_ADP_D_3333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_E_label
_jana_atom_site_ADP_E_type_symbol
_jana_atom_site_ADP_E_11111
_jana_atom_site_ADP_E_11112
_jana_atom_site_ADP_E_11113
_jana_atom_site_ADP_E_11122
_jana_atom_site_ADP_E_11123
_jana_atom_site_ADP_E_11133
_jana_atom_site_ADP_E_11222
_jana_atom_site_ADP_E_11223
_jana_atom_site_ADP_E_11233
_jana_atom_site_ADP_E_11333
_jana_atom_site_ADP_E_12222
_jana_atom_site_ADP_E_12223
_jana_atom_site_ADP_E_12233
_jana_atom_site_ADP_E_12333
_jana_atom_site_ADP_E_13333
_jana_atom_site_ADP_E_22222
_jana_atom_site_ADP_E_22223
_jana_atom_site_ADP_E_22233
_jana_atom_site_ADP_E_22333
_jana_atom_site_ADP_E_23333
_jana_atom_site_ADP_E_33333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_F_label
_jana_atom_site_ADP_F_type_symbol
_jana_atom_site_ADP_F_111111
_jana_atom_site_ADP_F_111112
_jana_atom_site_ADP_F_111113
_jana_atom_site_ADP_F_111122
_jana_atom_site_ADP_F_111123
_jana_atom_site_ADP_F_111133
_jana_atom_site_ADP_F_111222
_jana_atom_site_ADP_F_111223
_jana_atom_site_ADP_F_111233
_jana_atom_site_ADP_F_111333
_jana_atom_site_ADP_F_112222
_jana_atom_site_ADP_F_112223
_jana_atom_site_ADP_F_112233
_jana_atom_site_ADP_F_112333
_jana_atom_site_ADP_F_113333
_jana_atom_site_ADP_F_122222
_jana_atom_site_ADP_F_122223
_jana_atom_site_ADP_F_122233
_jana_atom_site_ADP_F_122333
_jana_atom_site_ADP_F_123333
_jana_atom_site_ADP_F_133333
_jana_atom_site_ADP_F_222222
_jana_atom_site_ADP_F_222223
_jana_atom_site_ADP_F_222233
_jana_atom_site_ADP_F_222333
_jana_atom_site_ADP_F_223333
_jana_atom_site_ADP_F_233333
_jana_atom_site_ADP_F_333333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 10. MOLECULAR GEOMETRY


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Zn1 Zn1 . 2_665 2.6425(7) ?
Zn1 Zn1 . 3_656 2.6425(7) ?
Zn1 Zn1 . 4_566 2.6425(7) ?
Zn1 Zn2 . 26_555 2.6051(8) ?
Zn1 Zn2 . 30_555 2.6051(8) ?
Zn1 Zn2 . 34_555 2.6051(8) ?
Zn1 Zn3 . 26_554 2.6137(6) ?
Zn1 Zn3 . 30_455 2.6137(6) ?
Zn1 Zn3 . 34_545 2.6137(6) ?
Zn1 Co1 . 26_555 2.6239(8) ?
Zn1 Co1 . 27_555 2.6239(8) ?
Zn1 Co1 . 28_555 2.6239(8) ?
Zn1 Ni1 . 26_555 2.6239(8) ?
Zn1 Ni1 . 27_555 2.6239(8) ?
Zn1 Ni1 . 28_555 2.6239(8) ?
Zn2 Zn2 . 2_655 2.6160(10) ?
Zn2 Zn3 . 1_554 2.8107(7) ?
Zn2 Zn3 . 4_556 2.8107(7) ?
Zn2 Zn3 . 29_444 2.6196(5) ?
Zn2 Zn3 . 30_455 2.6196(5) ?
Zn2 Zn3 . 9_545 2.8107(7) ?
Zn2 Zn3 . 11_565 2.8107(7) ?
Zn2 Co1 . . 2.7280(6) ?
Zn2 Co1 . 4_555 2.7280(6) ?
Zn2 Ni1 . . 2.7280(6) ?
Zn2 Ni1 . 4_555 2.7280(6) ?
Zn3 Zn3 . 30_456 2.7241(6) ?
Zn3 Zn3 . 31_655 2.7241(6) ?
Zn3 Zn3 . 34_546 2.7241(6) ?
Zn3 Zn3 . 36_565 2.7241(6) ?
Zn3 Co1 . 1_556 2.5942(6) ?
Zn3 Co1 . 26_555 2.5429(8) ?
Zn3 Ni1 . 1_556 2.5942(6) ?
Zn3 Ni1 . 26_555 2.5429(8) ?
Co1 Ni1 . . 0 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Zn1 Zn1 Zn1 2_665 . 3_656 60.000(14) ?
Zn1 Zn1 Zn1 2_665 . 4_566 60.000(14) ?
Zn1 Zn1 Zn2 2_665 . 26_555 110.843(18) ?
Zn1 Zn1 Zn2 2_665 . 30_555 110.843(18) ?
Zn1 Zn1 Zn2 2_665 . 34_555 59.523(13) ?
Zn1 Zn1 Zn3 2_665 . 26_554 168.563(19) ?
Zn1 Zn1 Zn3 2_665 . 30_455 110.478(18) ?
Zn1 Zn1 Zn3 2_665 . 34_545 110.478(18) ?
Zn1 Zn1 Co1 2_665 . 26_555 109.183(17) ?
Zn1 Zn1 Co1 2_665 . 27_555 59.765(15) ?
Zn1 Zn1 Co1 2_665 . 28_555 59.765(15) ?
Zn1 Zn1 Ni1 2_665 . 26_555 109.183(17) ?
Zn1 Zn1 Ni1 2_665 . 27_555 59.765(15) ?
Zn1 Zn1 Ni1 2_665 . 28_555 59.765(15) ?
Zn1 Zn1 Zn1 3_656 . 4_566 60.000(14) ?
Zn1 Zn1 Zn2 3_656 . 26_555 110.843(18) ?
Zn1 Zn1 Zn2 3_656 . 30_555 59.523(13) ?
Zn1 Zn1 Zn2 3_656 . 34_555 110.843(18) ?
Zn1 Zn1 Zn3 3_656 . 26_554 110.478(18) ?
Zn1 Zn1 Zn3 3_656 . 30_455 110.478(18) ?
Zn1 Zn1 Zn3 3_656 . 34_545 168.563(19) ?
Zn1 Zn1 Co1 3_656 . 26_555 59.765(15) ?
Zn1 Zn1 Co1 3_656 . 27_555 109.183(17) ?
Zn1 Zn1 Co1 3_656 . 28_555 59.765(15) ?
Zn1 Zn1 Ni1 3_656 . 26_555 59.765(15) ?
Zn1 Zn1 Ni1 3_656 . 27_555 109.183(17) ?
Zn1 Zn1 Ni1 3_656 . 28_555 59.765(15) ?
Zn1 Zn1 Zn2 4_566 . 26_555 59.523(13) ?
Zn1 Zn1 Zn2 4_566 . 30_555 110.843(18) ?
Zn1 Zn1 Zn2 4_566 . 34_555 110.843(18) ?
Zn1 Zn1 Zn3 4_566 . 26_554 110.478(18) ?
Zn1 Zn1 Zn3 4_566 . 30_455 168.563(19) ?
Zn1 Zn1 Zn3 4_566 . 34_545 110.478(18) ?
Zn1 Zn1 Co1 4_566 . 26_555 59.765(15) ?
Zn1 Zn1 Co1 4_566 . 27_555 59.765(15) ?
Zn1 Zn1 Co1 4_566 . 28_555 109.183(17) ?
Zn1 Zn1 Ni1 4_566 . 26_555 59.765(15) ?
Zn1 Zn1 Ni1 4_566 . 27_555 59.765(15) ?
Zn1 Zn1 Ni1 4_566 . 28_555 109.183(17) ?
Zn2 Zn1 Zn2 26_555 . 30_555 119.311(14) ?
Zn2 Zn1 Zn2 26_555 . 34_555 119.311(14) ?
Zn2 Zn1 Zn3 26_555 . 26_554 65.174(14) ?
Zn2 Zn1 Zn3 26_555 . 30_455 131.914(18) ?
Zn2 Zn1 Zn3 26_555 . 34_545 65.174(14) ?
Zn2 Zn1 Co1 26_555 . 26_555 62.894(12) ?
Zn2 Zn1 Co1 26_555 . 27_555 62.894(12) ?
Zn2 Zn1 Co1 26_555 . 28_555 168.706(19) ?
Zn2 Zn1 Ni1 26_555 . 26_555 62.894(12) ?
Zn2 Zn1 Ni1 26_555 . 27_555 62.894(12) ?
Zn2 Zn1 Ni1 26_555 . 28_555 168.706(19) ?
Zn2 Zn1 Zn2 30_555 . 34_555 119.311(14) ?
Zn2 Zn1 Zn3 30_555 . 26_554 65.174(14) ?
Zn2 Zn1 Zn3 30_555 . 30_455 65.174(14) ?
Zn2 Zn1 Zn3 30_555 . 34_545 131.914(18) ?
Zn2 Zn1 Co1 30_555 . 26_555 62.894(12) ?
Zn2 Zn1 Co1 30_555 . 27_555 168.706(19) ?
Zn2 Zn1 Co1 30_555 . 28_555 62.894(12) ?
Zn2 Zn1 Ni1 30_555 . 26_555 62.894(12) ?
Zn2 Zn1 Ni1 30_555 . 27_555 168.706(19) ?
Zn2 Zn1 Ni1 30_555 . 28_555 62.894(12) ?
Zn2 Zn1 Zn3 34_555 . 26_554 131.914(18) ?
Zn2 Zn1 Zn3 34_555 . 30_455 65.174(14) ?
Zn2 Zn1 Zn3 34_555 . 34_545 65.174(14) ?
Zn2 Zn1 Co1 34_555 . 26_555 168.706(19) ?
Zn2 Zn1 Co1 34_555 . 27_555 62.894(12) ?
Zn2 Zn1 Co1 34_555 . 28_555 62.894(12) ?
Zn2 Zn1 Ni1 34_555 . 26_555 168.706(19) ?
Zn2 Zn1 Ni1 34_555 . 27_555 62.894(12) ?
Zn2 Zn1 Ni1 34_555 . 28_555 62.894(12) ?
Zn3 Zn1 Zn3 26_554 . 30_455 78.143(16) ?
Zn3 Zn1 Zn3 26_554 . 34_545 78.143(16) ?
Zn3 Zn1 Co1 26_554 . 26_555 59.379(14) ?
Zn3 Zn1 Co1 26_554 . 27_555 122.658(18) ?
Zn3 Zn1 Co1 26_554 . 28_555 122.658(18) ?
Zn3 Zn1 Ni1 26_554 . 26_555 59.379(14) ?
Zn3 Zn1 Ni1 26_554 . 27_555 122.658(18) ?
Zn3 Zn1 Ni1 26_554 . 28_555 122.658(18) ?
Zn3 Zn1 Zn3 30_455 . 34_545 78.143(16) ?
Zn3 Zn1 Co1 30_455 . 26_555 122.658(18) ?
Zn3 Zn1 Co1 30_455 . 27_555 122.658(18) ?
Zn3 Zn1 Co1 30_455 . 28_555 59.379(14) ?
Zn3 Zn1 Ni1 30_455 . 26_555 122.658(18) ?
Zn3 Zn1 Ni1 30_455 . 27_555 122.658(18) ?
Zn3 Zn1 Ni1 30_455 . 28_555 59.379(14) ?
Zn3 Zn1 Co1 34_545 . 26_555 122.658(18) ?
Zn3 Zn1 Co1 34_545 . 27_555 59.379(14) ?
Zn3 Zn1 Co1 34_545 . 28_555 122.658(18) ?
Zn3 Zn1 Ni1 34_545 . 26_555 122.658(18) ?
Zn3 Zn1 Ni1 34_545 . 27_555 59.379(14) ?
Zn3 Zn1 Ni1 34_545 . 28_555 122.658(18) ?
Co1 Zn1 Co1 26_555 . 27_555 112.638(17) ?
Co1 Zn1 Co1 26_555 . 28_555 112.638(17) ?
Co1 Zn1 Ni1 26_555 . 26_555 0 ?
Co1 Zn1 Ni1 26_555 . 27_555 112.638(17) ?
Co1 Zn1 Ni1 26_555 . 28_555 112.638(17) ?
Co1 Zn1 Co1 27_555 . 28_555 112.638(17) ?
Co1 Zn1 Ni1 27_555 . 26_555 112.638(17) ?
Co1 Zn1 Ni1 27_555 . 27_555 0 ?
Co1 Zn1 Ni1 27_555 . 28_555 112.638(17) ?
Co1 Zn1 Ni1 28_555 . 26_555 112.638(17) ?
Co1 Zn1 Ni1 28_555 . 27_555 112.638(17) ?
Co1 Zn1 Ni1 28_555 . 28_555 0 ?
Ni1 Zn1 Ni1 26_555 . 27_555 112.638(17) ?
Ni1 Zn1 Ni1 26_555 . 28_555 112.638(17) ?
Ni1 Zn1 Ni1 27_555 . 28_555 112.638(17) ?
Zn1 Zn2 Zn1 26_554 . 27_545 60.954(18) ?
Zn1 Zn2 Zn2 26_554 . 2_655 149.523(11) ?
Zn1 Zn2 Zn3 26_554 . 1_554 57.562(11) ?
Zn1 Zn2 Zn3 26_554 . 4_556 105.691(19) ?
Zn1 Zn2 Zn3 26_554 . 29_444 107.065(15) ?
Zn1 Zn2 Zn3 26_554 . 30_455 107.065(15) ?
Zn1 Zn2 Zn3 26_554 . 9_545 105.691(19) ?
Zn1 Zn2 Zn3 26_554 . 11_565 57.562(11) ?
Zn1 Zn2 Co1 26_554 . . 58.891(16) ?
Zn1 Zn2 Co1 26_554 . 4_555 58.891(16) ?
Zn1 Zn2 Ni1 26_554 . . 58.891(16) ?
Zn1 Zn2 Ni1 26_554 . 4_555 58.891(16) ?
Zn1 Zn2 Zn2 27_545 . 2_655 149.523(11) ?
Zn1 Zn2 Zn3 27_545 . 1_554 105.691(19) ?
Zn1 Zn2 Zn3 27_545 . 4_556 57.562(11) ?
Zn1 Zn2 Zn3 27_545 . 29_444 107.065(15) ?
Zn1 Zn2 Zn3 27_545 . 30_455 107.065(15) ?
Zn1 Zn2 Zn3 27_545 . 9_545 57.562(11) ?
Zn1 Zn2 Zn3 27_545 . 11_565 105.691(19) ?
Zn1 Zn2 Co1 27_545 . . 58.891(16) ?
Zn1 Zn2 Co1 27_545 . 4_555 58.891(16) ?
Zn1 Zn2 Ni1 27_545 . . 58.891(16) ?
Zn1 Zn2 Ni1 27_545 . 4_555 58.891(16) ?
Zn2 Zn2 Zn3 2_655 . 1_554 98.875(12) ?
Zn2 Zn2 Zn3 2_655 . 4_556 98.875(12) ?
Zn2 Zn2 Zn3 2_655 . 29_444 70.092(14) ?
Zn2 Zn2 Zn3 2_655 . 30_455 70.092(14) ?
Zn2 Zn2 Zn3 2_655 . 9_545 98.875(12) ?
Zn2 Zn2 Zn3 2_655 . 11_565 98.875(12) ?
Zn2 Zn2 Co1 2_655 . . 126.834(12) ?
Zn2 Zn2 Co1 2_655 . 4_555 126.834(12) ?
Zn2 Zn2 Ni1 2_655 . . 126.834(12) ?
Zn2 Zn2 Ni1 2_655 . 4_555 126.834(12) ?
Zn3 Zn2 Zn3 1_554 . 4_556 162.25(2) ?
Zn3 Zn2 Zn3 1_554 . 29_444 127.130(12) ?
Zn3 Zn2 Zn3 1_554 . 30_455 60.096(11) ?
Zn3 Zn2 Zn3 1_554 . 9_545 105.388(11) ?
Zn3 Zn2 Zn3 1_554 . 11_565 71.763(11) ?
Zn3 Zn2 Co1 1_554 . . 55.833(12) ?
Zn3 Zn2 Co1 1_554 . 4_555 112.124(17) ?
Zn3 Zn2 Ni1 1_554 . . 55.833(12) ?
Zn3 Zn2 Ni1 1_554 . 4_555 112.124(17) ?
Zn3 Zn2 Zn3 4_556 . 29_444 60.096(11) ?
Zn3 Zn2 Zn3 4_556 . 30_455 127.130(12) ?
Zn3 Zn2 Zn3 4_556 . 9_545 71.763(11) ?
Zn3 Zn2 Zn3 4_556 . 11_565 105.388(11) ?
Zn3 Zn2 Co1 4_556 . . 112.124(17) ?
Zn3 Zn2 Co1 4_556 . 4_555 55.833(12) ?
Zn3 Zn2 Ni1 4_556 . . 112.124(17) ?
Zn3 Zn2 Ni1 4_556 . 4_555 55.833(12) ?
Zn3 Zn2 Zn3 29_444 . 30_455 140.18(3) ?
Zn3 Zn2 Zn3 29_444 . 9_545 127.130(12) ?
Zn3 Zn2 Zn3 29_444 . 11_565 60.096(11) ?
Zn3 Zn2 Co1 29_444 . . 163.07(2) ?
Zn3 Zn2 Co1 29_444 . 4_555 56.742(13) ?
Zn3 Zn2 Ni1 29_444 . . 163.07(2) ?
Zn3 Zn2 Ni1 29_444 . 4_555 56.742(13) ?
Zn3 Zn2 Zn3 30_455 . 9_545 60.096(11) ?
Zn3 Zn2 Zn3 30_455 . 11_565 127.130(12) ?
Zn3 Zn2 Co1 30_455 . . 56.742(13) ?
Zn3 Zn2 Co1 30_455 . 4_555 163.07(2) ?
Zn3 Zn2 Ni1 30_455 . . 56.742(13) ?
Zn3 Zn2 Ni1 30_455 . 4_555 163.07(2) ?
Zn3 Zn2 Zn3 9_545 . 11_565 162.25(2) ?
Zn3 Zn2 Co1 9_545 . . 55.833(12) ?
Zn3 Zn2 Co1 9_545 . 4_555 112.124(17) ?
Zn3 Zn2 Ni1 9_545 . . 55.833(12) ?
Zn3 Zn2 Ni1 9_545 . 4_555 112.124(17) ?
Zn3 Zn2 Co1 11_565 . . 112.124(17) ?
Zn3 Zn2 Co1 11_565 . 4_555 55.833(12) ?
Zn3 Zn2 Ni1 11_565 . . 112.124(17) ?
Zn3 Zn2 Ni1 11_565 . 4_555 55.833(12) ?
Co1 Zn2 Co1 . . 4_555 106.33(2) ?
Co1 Zn2 Ni1 . . . 0 ?
Co1 Zn2 Ni1 . . 4_555 106.33(2) ?
Co1 Zn2 Ni1 4_555 . . 106.33(2) ?
Co1 Zn2 Ni1 4_555 . 4_555 0 ?
Ni1 Zn2 Ni1 . . 4_555 106.33(2) ?
Zn1 Zn3 Zn2 26_555 . 1_556 57.265(15) ?
Zn1 Zn3 Zn2 26_555 . 5_556 57.265(15) ?
Zn1 Zn3 Zn2 26_555 . 33_555 148.65(2) ?
Zn1 Zn3 Zn3 26_555 . 30_456 103.820(15) ?
Zn1 Zn3 Zn3 26_555 . 31_655 101.360(16) ?
Zn1 Zn3 Zn3 26_555 . 34_546 103.820(15) ?
Zn1 Zn3 Zn3 26_555 . 36_565 101.360(16) ?
Zn1 Zn3 Co1 26_555 . 1_556 60.506(14) ?
Zn1 Zn3 Co1 26_555 . 26_555 84.875(15) ?
Zn1 Zn3 Ni1 26_555 . 1_556 60.506(14) ?
Zn1 Zn3 Ni1 26_555 . 26_555 84.875(15) ?
Zn2 Zn3 Zn2 1_556 . 5_556 106.233(18) ?
Zn2 Zn3 Zn2 1_556 . 33_555 126.676(16) ?
Zn2 Zn3 Zn3 1_556 . 30_456 56.470(10) ?
Zn2 Zn3 Zn3 1_556 . 31_655 65.779(12) ?
Zn2 Zn3 Zn3 1_556 . 34_546 114.521(15) ?
Zn2 Zn3 Zn3 1_556 . 36_565 154.504(16) ?
Zn2 Zn3 Co1 1_556 . 1_556 60.469(13) ?
Zn2 Zn3 Co1 1_556 . 26_555 102.184(13) ?
Zn2 Zn3 Ni1 1_556 . 1_556 60.469(13) ?
Zn2 Zn3 Ni1 1_556 . 26_555 102.184(13) ?
Zn2 Zn3 Zn2 5_556 . 33_555 126.676(16) ?
Zn2 Zn3 Zn3 5_556 . 30_456 114.521(15) ?
Zn2 Zn3 Zn3 5_556 . 31_655 154.504(16) ?
Zn2 Zn3 Zn3 5_556 . 34_546 56.470(10) ?
Zn2 Zn3 Zn3 5_556 . 36_565 65.779(12) ?
Zn2 Zn3 Co1 5_556 . 1_556 60.469(13) ?
Zn2 Zn3 Co1 5_556 . 26_555 102.184(13) ?
Zn2 Zn3 Ni1 5_556 . 1_556 60.469(13) ?
Zn2 Zn3 Ni1 5_556 . 26_555 102.184(13) ?
Zn2 Zn3 Zn3 33_555 . 30_456 101.024(16) ?
Zn2 Zn3 Zn3 33_555 . 31_655 63.434(12) ?
Zn2 Zn3 Zn3 33_555 . 34_546 101.024(16) ?
Zn2 Zn3 Zn3 33_555 . 36_565 63.434(12) ?
Zn2 Zn3 Co1 33_555 . 1_556 150.84(2) ?
Zn2 Zn3 Co1 33_555 . 26_555 63.779(16) ?
Zn2 Zn3 Ni1 33_555 . 1_556 150.84(2) ?
Zn2 Zn3 Ni1 33_555 . 26_555 63.779(16) ?
Zn3 Zn3 Zn3 30_456 . 31_655 82.192(14) ?
Zn3 Zn3 Zn3 30_456 . 34_546 74.420(15) ?
Zn3 Zn3 Zn3 30_456 . 36_565 148.953(15) ?
Zn3 Zn3 Co1 30_456 . 1_556 57.065(15) ?
Zn3 Zn3 Co1 30_456 . 26_555 141.083(16) ?
Zn3 Zn3 Ni1 30_456 . 1_556 57.065(15) ?
Zn3 Zn3 Ni1 30_456 . 26_555 141.083(16) ?
Zn3 Zn3 Zn3 31_655 . 34_546 148.953(15) ?
Zn3 Zn3 Zn3 31_655 . 36_565 110.308(15) ?
Zn3 Zn3 Co1 31_655 . 1_556 124.320(15) ?
Zn3 Zn3 Co1 31_655 . 26_555 58.895(13) ?
Zn3 Zn3 Ni1 31_655 . 1_556 124.320(15) ?
Zn3 Zn3 Ni1 31_655 . 26_555 58.895(13) ?
Zn3 Zn3 Zn3 34_546 . 36_565 82.192(14) ?
Zn3 Zn3 Co1 34_546 . 1_556 57.065(15) ?
Zn3 Zn3 Co1 34_546 . 26_555 141.083(16) ?
Zn3 Zn3 Ni1 34_546 . 1_556 57.065(15) ?
Zn3 Zn3 Ni1 34_546 . 26_555 141.083(16) ?
Zn3 Zn3 Co1 36_565 . 1_556 124.320(15) ?
Zn3 Zn3 Co1 36_565 . 26_555 58.895(13) ?
Zn3 Zn3 Ni1 36_565 . 1_556 124.320(15) ?
Zn3 Zn3 Ni1 36_565 . 26_555 58.895(13) ?
Co1 Zn3 Co1 1_556 . 26_555 145.381(17) ?
Co1 Zn3 Ni1 1_556 . 1_556 0 ?
Co1 Zn3 Ni1 1_556 . 26_555 145.381(17) ?
Co1 Zn3 Ni1 26_555 . 1_556 145.381(17) ?
Co1 Zn3 Ni1 26_555 . 26_555 0 ?
Ni1 Zn3 Ni1 1_556 . 26_555 145.381(17) ?
Zn1 Co1 Zn1 26_554 . 27_545 60.470(14) ?
Zn1 Co1 Zn1 26_554 . 28_455 60.470(14) ?
Zn1 Co1 Zn2 26_554 . . 58.215(14) ?
Zn1 Co1 Zn2 26_554 . 5_555 58.215(14) ?
Zn1 Co1 Zn2 26_554 . 9_555 107.651(19) ?
Zn1 Co1 Zn3 26_554 . 1_554 60.115(15) ?
Zn1 Co1 Zn3 26_554 . 26_554 167.130(19) ?
Zn1 Co1 Zn3 26_554 . 5_455 111.694(18) ?
Zn1 Co1 Zn3 26_554 . 30_455 108.810(16) ?
Zn1 Co1 Zn3 26_554 . 9_545 111.694(18) ?
Zn1 Co1 Zn3 26_554 . 34_545 108.810(16) ?
Zn1 Co1 Ni1 26_554 . . 0 ?
Zn1 Co1 Zn1 27_545 . 28_455 60.470(14) ?
Zn1 Co1 Zn2 27_545 . . 58.215(14) ?
Zn1 Co1 Zn2 27_545 . 5_555 107.651(19) ?
Zn1 Co1 Zn2 27_545 . 9_555 58.215(14) ?
Zn1 Co1 Zn3 27_545 . 1_554 111.694(18) ?
Zn1 Co1 Zn3 27_545 . 26_554 108.810(16) ?
Zn1 Co1 Zn3 27_545 . 5_455 111.694(18) ?
Zn1 Co1 Zn3 27_545 . 30_455 108.810(16) ?
Zn1 Co1 Zn3 27_545 . 9_545 60.115(15) ?
Zn1 Co1 Zn3 27_545 . 34_545 167.130(19) ?
Zn1 Co1 Ni1 27_545 . . 0 ?
Zn1 Co1 Zn2 28_455 . . 107.651(19) ?
Zn1 Co1 Zn2 28_455 . 5_555 58.215(14) ?
Zn1 Co1 Zn2 28_455 . 9_555 58.215(14) ?
Zn1 Co1 Zn3 28_455 . 1_554 111.694(18) ?
Zn1 Co1 Zn3 28_455 . 26_554 108.810(16) ?
Zn1 Co1 Zn3 28_455 . 5_455 60.115(15) ?
Zn1 Co1 Zn3 28_455 . 30_455 167.130(19) ?
Zn1 Co1 Zn3 28_455 . 9_545 111.694(18) ?
Zn1 Co1 Zn3 28_455 . 34_545 108.810(16) ?
Zn1 Co1 Ni1 28_455 . . 0 ?
Zn2 Co1 Zn2 . . 5_555 110.995(16) ?
Zn2 Co1 Zn2 . . 9_555 110.995(16) ?
Zn2 Co1 Zn3 . . 1_554 63.697(13) ?
Zn2 Co1 Zn3 . . 26_554 124.049(17) ?
Zn2 Co1 Zn3 . . 5_455 167.766(19) ?
Zn2 Co1 Zn3 . . 30_455 59.478(14) ?
Zn2 Co1 Zn3 . . 9_545 63.697(13) ?
Zn2 Co1 Zn3 . . 34_545 124.049(17) ?
Zn2 Co1 Ni1 . . . 0 ?
Zn2 Co1 Zn2 5_555 . 9_555 110.995(16) ?
Zn2 Co1 Zn3 5_555 . 1_554 63.697(13) ?
Zn2 Co1 Zn3 5_555 . 26_554 124.049(17) ?
Zn2 Co1 Zn3 5_555 . 5_455 63.697(13) ?
Zn2 Co1 Zn3 5_555 . 30_455 124.049(17) ?
Zn2 Co1 Zn3 5_555 . 9_545 167.766(19) ?
Zn2 Co1 Zn3 5_555 . 34_545 59.478(14) ?
Zn2 Co1 Ni1 5_555 . . 0 ?
Zn2 Co1 Zn3 9_555 . 1_554 167.766(19) ?
Zn2 Co1 Zn3 9_555 . 26_554 59.478(14) ?
Zn2 Co1 Zn3 9_555 . 5_455 63.697(13) ?
Zn2 Co1 Zn3 9_555 . 30_455 124.049(17) ?
Zn2 Co1 Zn3 9_555 . 9_545 63.697(13) ?
Zn2 Co1 Zn3 9_555 . 34_545 124.049(17) ?
Zn2 Co1 Ni1 9_555 . . 0 ?
Zn3 Co1 Zn3 1_554 . 26_554 132.756(18) ?
Zn3 Co1 Zn3 1_554 . 5_455 119.037(17) ?
Zn3 Co1 Zn3 1_554 . 30_455 64.040(13) ?
Zn3 Co1 Zn3 1_554 . 9_545 119.037(17) ?
Zn3 Co1 Zn3 1_554 . 34_545 64.040(13) ?
Zn3 Co1 Ni1 1_554 . . 0 ?
Zn3 Co1 Zn3 26_554 . 5_455 64.040(13) ?
Zn3 Co1 Zn3 26_554 . 30_455 80.758(14) ?
Zn3 Co1 Zn3 26_554 . 9_545 64.040(13) ?
Zn3 Co1 Zn3 26_554 . 34_545 80.758(14) ?
Zn3 Co1 Ni1 26_554 . . 0 ?
Zn3 Co1 Zn3 5_455 . 30_455 132.756(18) ?
Zn3 Co1 Zn3 5_455 . 9_545 119.037(17) ?
Zn3 Co1 Zn3 5_455 . 34_545 64.040(13) ?
Zn3 Co1 Ni1 5_455 . . 0 ?
Zn3 Co1 Zn3 30_455 . 9_545 64.040(13) ?
Zn3 Co1 Zn3 30_455 . 34_545 80.758(14) ?
Zn3 Co1 Ni1 30_455 . . 0 ?
Zn3 Co1 Zn3 9_545 . 34_545 132.756(18) ?
Zn3 Co1 Ni1 9_545 . . 0 ?
Zn3 Co1 Ni1 34_545 . . 0 ?
Zn1 Ni1 Zn1 26_554 . 27_545 60.470(14) ?
Zn1 Ni1 Zn1 26_554 . 28_455 60.470(14) ?
Zn1 Ni1 Zn2 26_554 . . 58.215(14) ?
Zn1 Ni1 Zn2 26_554 . 5_555 58.215(14) ?
Zn1 Ni1 Zn2 26_554 . 9_555 107.651(19) ?
Zn1 Ni1 Zn3 26_554 . 1_554 60.115(15) ?
Zn1 Ni1 Zn3 26_554 . 26_554 167.130(19) ?
Zn1 Ni1 Zn3 26_554 . 5_455 111.694(18) ?
Zn1 Ni1 Zn3 26_554 . 30_455 108.810(16) ?
Zn1 Ni1 Zn3 26_554 . 9_545 111.694(18) ?
Zn1 Ni1 Zn3 26_554 . 34_545 108.810(16) ?
Zn1 Ni1 Co1 26_554 . . 0 ?
Zn1 Ni1 Zn1 27_545 . 28_455 60.470(14) ?
Zn1 Ni1 Zn2 27_545 . . 58.215(14) ?
Zn1 Ni1 Zn2 27_545 . 5_555 107.651(19) ?
Zn1 Ni1 Zn2 27_545 . 9_555 58.215(14) ?
Zn1 Ni1 Zn3 27_545 . 1_554 111.694(18) ?
Zn1 Ni1 Zn3 27_545 . 26_554 108.810(16) ?
Zn1 Ni1 Zn3 27_545 . 5_455 111.694(18) ?
Zn1 Ni1 Zn3 27_545 . 30_455 108.810(16) ?
Zn1 Ni1 Zn3 27_545 . 9_545 60.115(15) ?
Zn1 Ni1 Zn3 27_545 . 34_545 167.130(19) ?
Zn1 Ni1 Co1 27_545 . . 0 ?
Zn1 Ni1 Zn2 28_455 . . 107.651(19) ?
Zn1 Ni1 Zn2 28_455 . 5_555 58.215(14) ?
Zn1 Ni1 Zn2 28_455 . 9_555 58.215(14) ?
Zn1 Ni1 Zn3 28_455 . 1_554 111.694(18) ?
Zn1 Ni1 Zn3 28_455 . 26_554 108.810(16) ?
Zn1 Ni1 Zn3 28_455 . 5_455 60.115(15) ?
Zn1 Ni1 Zn3 28_455 . 30_455 167.130(19) ?
Zn1 Ni1 Zn3 28_455 . 9_545 111.694(18) ?
Zn1 Ni1 Zn3 28_455 . 34_545 108.810(16) ?
Zn1 Ni1 Co1 28_455 . . 0 ?
Zn2 Ni1 Zn2 . . 5_555 110.995(16) ?
Zn2 Ni1 Zn2 . . 9_555 110.995(16) ?
Zn2 Ni1 Zn3 . . 1_554 63.697(13) ?
Zn2 Ni1 Zn3 . . 26_554 124.049(17) ?
Zn2 Ni1 Zn3 . . 5_455 167.766(19) ?
Zn2 Ni1 Zn3 . . 30_455 59.478(14) ?
Zn2 Ni1 Zn3 . . 9_545 63.697(13) ?
Zn2 Ni1 Zn3 . . 34_545 124.049(17) ?
Zn2 Ni1 Co1 . . . 0 ?
Zn2 Ni1 Zn2 5_555 . 9_555 110.995(16) ?
Zn2 Ni1 Zn3 5_555 . 1_554 63.697(13) ?
Zn2 Ni1 Zn3 5_555 . 26_554 124.049(17) ?
Zn2 Ni1 Zn3 5_555 . 5_455 63.697(13) ?
Zn2 Ni1 Zn3 5_555 . 30_455 124.049(17) ?
Zn2 Ni1 Zn3 5_555 . 9_545 167.766(19) ?
Zn2 Ni1 Zn3 5_555 . 34_545 59.478(14) ?
Zn2 Ni1 Co1 5_555 . . 0 ?
Zn2 Ni1 Zn3 9_555 . 1_554 167.766(19) ?
Zn2 Ni1 Zn3 9_555 . 26_554 59.478(14) ?
Zn2 Ni1 Zn3 9_555 . 5_455 63.697(13) ?
Zn2 Ni1 Zn3 9_555 . 30_455 124.049(17) ?
Zn2 Ni1 Zn3 9_555 . 9_545 63.697(13) ?
Zn2 Ni1 Zn3 9_555 . 34_545 124.049(17) ?
Zn2 Ni1 Co1 9_555 . . 0 ?
Zn3 Ni1 Zn3 1_554 . 26_554 132.756(18) ?
Zn3 Ni1 Zn3 1_554 . 5_455 119.037(17) ?
Zn3 Ni1 Zn3 1_554 . 30_455 64.040(13) ?
Zn3 Ni1 Zn3 1_554 . 9_545 119.037(17) ?
Zn3 Ni1 Zn3 1_554 . 34_545 64.040(13) ?
Zn3 Ni1 Co1 1_554 . . 0 ?
Zn3 Ni1 Zn3 26_554 . 5_455 64.040(13) ?
Zn3 Ni1 Zn3 26_554 . 30_455 80.758(14) ?
Zn3 Ni1 Zn3 26_554 . 9_545 64.040(13) ?
Zn3 Ni1 Zn3 26_554 . 34_545 80.758(14) ?
Zn3 Ni1 Co1 26_554 . . 0 ?
Zn3 Ni1 Zn3 5_455 . 30_455 132.756(18) ?
Zn3 Ni1 Zn3 5_455 . 9_545 119.037(17) ?
Zn3 Ni1 Zn3 5_455 . 34_545 64.040(13) ?
Zn3 Ni1 Co1 5_455 . . 0 ?
Zn3 Ni1 Zn3 30_455 . 9_545 64.040(13) ?
Zn3 Ni1 Zn3 30_455 . 34_545 80.758(14) ?
Zn3 Ni1 Co1 30_455 . . 0 ?
Zn3 Ni1 Zn3 9_545 . 34_545 132.756(18) ?
Zn3 Ni1 Co1 9_545 . . 0 ?
Zn3 Ni1 Co1 34_545 . . 0 ?

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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
? ? ? ? ? ? ? ? ? ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
? ? ? ? ? ? ? ? ? ? ?


####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_I_CCDC3
_database_code_depnum_ccdc_archive 'CCDC 2307994'
loop_
_audit_author_name
_audit_author_address
'Partha Pratim Jana'
; IIT KHARAGPUR
India
;
_audit_update_record             
;
2024-05-21 deposited with the CCDC.	2024-08-06 downloaded from the CCDC.
;
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_iupac          ?
_chemical_formula_sum            'Co0.8 Ni1.2 Zn11'
_chemical_formula_weight         836.8
_chemical_melting_point          ?
_chemical_compound_source        ?
_chemical_absolute_configuration ?

#=======================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting           cubic
_symmetry_space_group_name_H-M   'I -4 3 m'
_symmetry_space_group_name_Hall  'I -4;2;3'
_symmetry_Int_Tables_number      217

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 -x,y,-z
4 x,-y,-z
5 z,x,y
6 z,-x,-y
7 -z,-x,y
8 -z,x,-y
9 y,z,x
10 -y,z,-x
11 y,-z,-x
12 -y,-z,x
13 y,x,z
14 -y,-x,z
15 y,-x,-z
16 -y,x,-z
17 x,z,y
18 -x,z,-y
19 -x,-z,y
20 x,-z,-y
21 z,y,x
22 z,-y,-x
23 -z,y,-x
24 -z,-y,x
25 x+1/2,y+1/2,z+1/2
26 -x+1/2,-y+1/2,z+1/2
27 -x+1/2,y+1/2,-z+1/2
28 x+1/2,-y+1/2,-z+1/2
29 z+1/2,x+1/2,y+1/2
30 z+1/2,-x+1/2,-y+1/2
31 -z+1/2,-x+1/2,y+1/2
32 -z+1/2,x+1/2,-y+1/2
33 y+1/2,z+1/2,x+1/2
34 -y+1/2,z+1/2,-x+1/2
35 y+1/2,-z+1/2,-x+1/2
36 -y+1/2,-z+1/2,x+1/2
37 y+1/2,x+1/2,z+1/2
38 -y+1/2,-x+1/2,z+1/2
39 y+1/2,-x+1/2,-z+1/2
40 -y+1/2,x+1/2,-z+1/2
41 x+1/2,z+1/2,y+1/2
42 -x+1/2,z+1/2,-y+1/2
43 -x+1/2,-z+1/2,y+1/2
44 x+1/2,-z+1/2,-y+1/2
45 z+1/2,y+1/2,x+1/2
46 z+1/2,-y+1/2,-x+1/2
47 -z+1/2,y+1/2,-x+1/2
48 -z+1/2,-y+1/2,x+1/2

_cell_length_a                   9.0033(11)
_cell_length_b                   9.0033(11)
_cell_length_c                   9.0033(11)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     729.80(15)

loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
_twin_individual_twin_matrix_11
_twin_individual_twin_matrix_12
_twin_individual_twin_matrix_13
_twin_individual_twin_matrix_21
_twin_individual_twin_matrix_22
_twin_individual_twin_matrix_23
_twin_individual_twin_matrix_31
_twin_individual_twin_matrix_32
_twin_individual_twin_matrix_33
? ? ? ? ? ? ? ? ? ? ?

_cell_formula_units_Z            4

_cell_measurement_reflns_used    3224
_cell_measurement_theta_min      3.20
_cell_measurement_theta_max      35.46
_cell_measurement_temperature    293

_cell_special_details            
; ?
;

_exptl_crystal_density_diffrn    7.6156
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             1541

_exptl_absorpt_coefficient_mu    40.094
_exptl_crystal_description       box
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_exptl_crystal_size_rad          ?
_exptl_crystal_colour            grey
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_correction_T_min  0.4036
_exptl_absorpt_correction_T_max  0.7471
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
? ? ? ?

#=======================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details           ?

_diffrn_ambient_temperature      293
_diffrn_source                   ?
_diffrn_source_power             ?
_diffrn_source_voltage           ?
_diffrn_source_current           ?
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker Photon II'
_diffrn_detector                 ?
_diffrn_detector_area_resol_mean ?
_diffrn_measurement_method       'Bruker Photon II'
_diffrn_measurement_specimen_support ?

_diffrn_reflns_number            7510
_diffrn_reflns_theta_min         3.2
_diffrn_reflns_theta_max         36.21
_diffrn_reflns_theta_full        36.21
_diffrn_measured_fraction_theta_max 1
_diffrn_measured_fraction_theta_full 1
_diffrn_reflns_av_R_equivalents  0.0392
_diffrn_reflns_av_unetI/netI     0.015
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_reduction_process ?

_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?

_diffrn_radiation_probe          X-ray

#=======================================================================

# 8. REFINEMENT DATA

_refine_special_details          
; ?
;

_reflns_number_total             357
_reflns_number_gt                347
_reflns_threshold_expression     I>3σ(I)

_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0154
_refine_ls_wR_factor_gt          0.0405
_refine_ls_R_factor_all          0.0166
_refine_ls_wR_factor_ref         0.0408
_refine_ls_goodness_of_fit_ref   1.41
_refine_ls_goodness_of_fit_gt    1.43
_refine_ls_restrained_S_gt       ?
_refine_ls_restrained_S_all      ?
_refine_ls_number_reflns         357
_refine_ls_number_parameters     18
_refine_ls_number_restraints     0
_refine_ls_number_constraints    3
_refine_ls_weighting_scheme      sigma
_refine_ls_weighting_details     w=1/(σ²(I)+0.0004I²)
_refine_ls_hydrogen_treatment    ?
_refine_ls_shift/su_max          0.0374
_refine_ls_shift/su_mean         0.0103
_refine_diff_density_max         0.72
_refine_diff_density_min         -0.44
_refine_ls_extinction_method     
'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_extinction_coef       590(50)
_refine_ls_extinction_expression ?
_refine_ls_abs_structure_details 
;  153 of Friedel pairs used in the refinement
;
_refine_ls_abs_structure_Flack   ?
_refine_ls_abs_structure_Rogers  ?

loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Co 0.3494 0.9721 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Ni 0.3393 1.1124 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Zn 0.2839 1.4301 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  ?
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_restr_distance_atom_site_label_1
_restr_distance_site_symmetry_1
_restr_distance_atom_site_label_2
_restr_distance_site_symmetry_2
_restr_distance_target
_restr_distance_target_weight_param
? ? ? ? ? ?

loop_
_restr_angle_atom_site_label_1
_restr_angle_site_symmetry_1
_restr_angle_atom_site_label_2
_restr_angle_site_symmetry_2
_restr_angle_atom_site_label_3
_restr_angle_site_symmetry_3
_restr_angle_target
_restr_angle_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_torsion_atom_site_label_1
_restr_torsion_site_symmetry_1
_restr_torsion_atom_site_label_2
_restr_torsion_site_symmetry_2
_restr_torsion_atom_site_label_3
_restr_torsion_site_symmetry_3
_restr_torsion_atom_site_label_4
_restr_torsion_site_symmetry_4
_restr_torsion_angle_target
_restr_torsion_weight_param
? ? ? ? ? ? ? ? ? ?

loop_
_restr_equal_distance_atom_site_label_1
_restr_equal_distance_site_symmetry_1
_restr_equal_distance_atom_site_label_2
_restr_equal_distance_site_symmetry_2
_restr_equal_distance_class_class_id
_restr_equal_distance_class_target_weight_param
? ? ? ? ? ?

loop_
_restr_equal_angle_atom_site_label_1
_restr_equal_angle_site_symmetry_1
_restr_equal_angle_atom_site_label_2
_restr_equal_angle_site_symmetry_2
_restr_equal_angle_atom_site_label_3
_restr_equal_angle_site_symmetry_3
_restr_equal_angle_class_class_id
_restr_equal_angle_class_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_equal_torsion_atom_site_label_1
_restr_equal_torsion_site_symmetry_1
_restr_equal_torsion_atom_site_label_2
_restr_equal_torsion_site_symmetry_2
_restr_equal_torsion_atom_site_label_3
_restr_equal_torsion_site_symmetry_3
_restr_equal_torsion_atom_site_label_4
_restr_equal_torsion_site_symmetry_4
_restr_equal_torsion_class_class_id
_restr_equal_torsion_class_target_weight_param
? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_site_symmetry_multiplicity
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.39571(4) 0.39571(4) 0.39571(4) Uani 0.01175(8) 8 1 d . . .
Zn2 Zn 0.35426(7) 0 0 Uani 0.01109(10) 12 1 d . . .
Zn3 Zn 0.30621(3) 0.30621(3) 0.95405(5) Uani 0.01247(8) 24 1 d . . .
Co1 Co 0.17187(4) 0.17187(4) 0.17187(4) Uani 0.00759(8) 8 0.4 d . . .
Ni1 Ni 0.17187(4) 0.17187(4) 0.17187(4) Uani 0.00759(8) 8 0.6 d . . .


loop_
_jana_atom_site_ADP_C_label
_jana_atom_site_ADP_C_type_symbol
_jana_atom_site_ADP_C_111
_jana_atom_site_ADP_C_112
_jana_atom_site_ADP_C_113
_jana_atom_site_ADP_C_122
_jana_atom_site_ADP_C_123
_jana_atom_site_ADP_C_133
_jana_atom_site_ADP_C_222
_jana_atom_site_ADP_C_223
_jana_atom_site_ADP_C_233
_jana_atom_site_ADP_C_333
? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_D_label
_jana_atom_site_ADP_D_type_symbol
_jana_atom_site_ADP_D_1111
_jana_atom_site_ADP_D_1112
_jana_atom_site_ADP_D_1113
_jana_atom_site_ADP_D_1122
_jana_atom_site_ADP_D_1123
_jana_atom_site_ADP_D_1133
_jana_atom_site_ADP_D_1222
_jana_atom_site_ADP_D_1223
_jana_atom_site_ADP_D_1233
_jana_atom_site_ADP_D_1333
_jana_atom_site_ADP_D_2222
_jana_atom_site_ADP_D_2223
_jana_atom_site_ADP_D_2233
_jana_atom_site_ADP_D_2333
_jana_atom_site_ADP_D_3333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_E_label
_jana_atom_site_ADP_E_type_symbol
_jana_atom_site_ADP_E_11111
_jana_atom_site_ADP_E_11112
_jana_atom_site_ADP_E_11113
_jana_atom_site_ADP_E_11122
_jana_atom_site_ADP_E_11123
_jana_atom_site_ADP_E_11133
_jana_atom_site_ADP_E_11222
_jana_atom_site_ADP_E_11223
_jana_atom_site_ADP_E_11233
_jana_atom_site_ADP_E_11333
_jana_atom_site_ADP_E_12222
_jana_atom_site_ADP_E_12223
_jana_atom_site_ADP_E_12233
_jana_atom_site_ADP_E_12333
_jana_atom_site_ADP_E_13333
_jana_atom_site_ADP_E_22222
_jana_atom_site_ADP_E_22223
_jana_atom_site_ADP_E_22233
_jana_atom_site_ADP_E_22333
_jana_atom_site_ADP_E_23333
_jana_atom_site_ADP_E_33333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_F_label
_jana_atom_site_ADP_F_type_symbol
_jana_atom_site_ADP_F_111111
_jana_atom_site_ADP_F_111112
_jana_atom_site_ADP_F_111113
_jana_atom_site_ADP_F_111122
_jana_atom_site_ADP_F_111123
_jana_atom_site_ADP_F_111133
_jana_atom_site_ADP_F_111222
_jana_atom_site_ADP_F_111223
_jana_atom_site_ADP_F_111233
_jana_atom_site_ADP_F_111333
_jana_atom_site_ADP_F_112222
_jana_atom_site_ADP_F_112223
_jana_atom_site_ADP_F_112233
_jana_atom_site_ADP_F_112333
_jana_atom_site_ADP_F_113333
_jana_atom_site_ADP_F_122222
_jana_atom_site_ADP_F_122223
_jana_atom_site_ADP_F_122233
_jana_atom_site_ADP_F_122333
_jana_atom_site_ADP_F_123333
_jana_atom_site_ADP_F_133333
_jana_atom_site_ADP_F_222222
_jana_atom_site_ADP_F_222223
_jana_atom_site_ADP_F_222233
_jana_atom_site_ADP_F_222333
_jana_atom_site_ADP_F_223333
_jana_atom_site_ADP_F_233333
_jana_atom_site_ADP_F_333333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 10. MOLECULAR GEOMETRY


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Zn1 Zn1 . 2_665 2.6558(7) ?
Zn1 Zn1 . 3_656 2.6558(7) ?
Zn1 Zn1 . 4_566 2.6558(7) ?
Zn1 Zn2 . 26_555 2.6131(8) ?
Zn1 Zn2 . 30_555 2.6131(8) ?
Zn1 Zn2 . 34_555 2.6131(8) ?
Zn1 Zn3 . 26_554 2.6241(6) ?
Zn1 Zn3 . 30_455 2.6241(6) ?
Zn1 Zn3 . 34_545 2.6241(6) ?
Zn1 Co1 . 26_555 2.6310(8) ?
Zn1 Co1 . 27_555 2.6310(8) ?
Zn1 Co1 . 28_555 2.6310(8) ?
Zn1 Ni1 . 26_555 2.6310(8) ?
Zn1 Ni1 . 27_555 2.6310(8) ?
Zn1 Ni1 . 28_555 2.6310(8) ?
Zn2 Zn2 . 2_655 2.6243(11) ?
Zn2 Zn3 . 1_554 2.8211(7) ?
Zn2 Zn3 . 4_556 2.8211(7) ?
Zn2 Zn3 . 29_444 2.6259(5) ?
Zn2 Zn3 . 30_455 2.6259(5) ?
Zn2 Zn3 . 9_545 2.8211(7) ?
Zn2 Zn3 . 11_565 2.8211(7) ?
Zn2 Co1 . . 2.7359(6) ?
Zn2 Co1 . 4_555 2.7359(6) ?
Zn2 Ni1 . . 2.7359(6) ?
Zn2 Ni1 . 4_555 2.7359(6) ?
Zn3 Zn3 . 30_456 2.7304(7) ?
Zn3 Zn3 . 31_655 2.7304(7) ?
Zn3 Zn3 . 34_546 2.7304(7) ?
Zn3 Zn3 . 36_565 2.7304(7) ?
Zn3 Co1 . 1_556 2.6023(7) ?
Zn3 Co1 . 26_555 2.5558(8) ?
Zn3 Ni1 . 1_556 2.6023(7) ?
Zn3 Ni1 . 26_555 2.5558(8) ?
Co1 Ni1 . . 0 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Zn1 Zn1 Zn1 2_665 . 3_656 60.000(14) ?
Zn1 Zn1 Zn1 2_665 . 4_566 60.000(14) ?
Zn1 Zn1 Zn2 2_665 . 26_555 110.789(18) ?
Zn1 Zn1 Zn2 2_665 . 30_555 110.789(18) ?
Zn1 Zn1 Zn2 2_665 . 34_555 59.458(14) ?
Zn1 Zn1 Zn3 2_665 . 26_554 168.45(2) ?
Zn1 Zn1 Zn3 2_665 . 30_455 110.386(18) ?
Zn1 Zn1 Zn3 2_665 . 34_545 110.386(18) ?
Zn1 Zn1 Co1 2_665 . 26_555 109.090(17) ?
Zn1 Zn1 Co1 2_665 . 27_555 59.689(15) ?
Zn1 Zn1 Co1 2_665 . 28_555 59.689(15) ?
Zn1 Zn1 Ni1 2_665 . 26_555 109.090(17) ?
Zn1 Zn1 Ni1 2_665 . 27_555 59.689(15) ?
Zn1 Zn1 Ni1 2_665 . 28_555 59.689(15) ?
Zn1 Zn1 Zn1 3_656 . 4_566 60.000(14) ?
Zn1 Zn1 Zn2 3_656 . 26_555 110.789(18) ?
Zn1 Zn1 Zn2 3_656 . 30_555 59.458(14) ?
Zn1 Zn1 Zn2 3_656 . 34_555 110.789(18) ?
Zn1 Zn1 Zn3 3_656 . 26_554 110.386(18) ?
Zn1 Zn1 Zn3 3_656 . 30_455 110.386(18) ?
Zn1 Zn1 Zn3 3_656 . 34_545 168.45(2) ?
Zn1 Zn1 Co1 3_656 . 26_555 59.689(15) ?
Zn1 Zn1 Co1 3_656 . 27_555 109.090(17) ?
Zn1 Zn1 Co1 3_656 . 28_555 59.689(15) ?
Zn1 Zn1 Ni1 3_656 . 26_555 59.689(15) ?
Zn1 Zn1 Ni1 3_656 . 27_555 109.090(17) ?
Zn1 Zn1 Ni1 3_656 . 28_555 59.689(15) ?
Zn1 Zn1 Zn2 4_566 . 26_555 59.458(14) ?
Zn1 Zn1 Zn2 4_566 . 30_555 110.789(18) ?
Zn1 Zn1 Zn2 4_566 . 34_555 110.789(18) ?
Zn1 Zn1 Zn3 4_566 . 26_554 110.386(18) ?
Zn1 Zn1 Zn3 4_566 . 30_455 168.45(2) ?
Zn1 Zn1 Zn3 4_566 . 34_545 110.386(18) ?
Zn1 Zn1 Co1 4_566 . 26_555 59.689(15) ?
Zn1 Zn1 Co1 4_566 . 27_555 59.689(15) ?
Zn1 Zn1 Co1 4_566 . 28_555 109.090(17) ?
Zn1 Zn1 Ni1 4_566 . 26_555 59.689(15) ?
Zn1 Zn1 Ni1 4_566 . 27_555 59.689(15) ?
Zn1 Zn1 Ni1 4_566 . 28_555 109.090(17) ?
Zn2 Zn1 Zn2 26_555 . 30_555 119.330(14) ?
Zn2 Zn1 Zn2 26_555 . 34_555 119.330(14) ?
Zn2 Zn1 Zn3 26_555 . 26_554 65.187(14) ?
Zn2 Zn1 Zn3 26_555 . 30_455 132.088(19) ?
Zn2 Zn1 Zn3 26_555 . 34_545 65.187(14) ?
Zn2 Zn1 Co1 26_555 . 26_555 62.894(12) ?
Zn2 Zn1 Co1 26_555 . 27_555 62.894(12) ?
Zn2 Zn1 Co1 26_555 . 28_555 168.548(19) ?
Zn2 Zn1 Ni1 26_555 . 26_555 62.894(12) ?
Zn2 Zn1 Ni1 26_555 . 27_555 62.894(12) ?
Zn2 Zn1 Ni1 26_555 . 28_555 168.548(19) ?
Zn2 Zn1 Zn2 30_555 . 34_555 119.330(14) ?
Zn2 Zn1 Zn3 30_555 . 26_554 65.187(14) ?
Zn2 Zn1 Zn3 30_555 . 30_455 65.187(14) ?
Zn2 Zn1 Zn3 30_555 . 34_545 132.088(19) ?
Zn2 Zn1 Co1 30_555 . 26_555 62.894(12) ?
Zn2 Zn1 Co1 30_555 . 27_555 168.548(19) ?
Zn2 Zn1 Co1 30_555 . 28_555 62.894(12) ?
Zn2 Zn1 Ni1 30_555 . 26_555 62.894(12) ?
Zn2 Zn1 Ni1 30_555 . 27_555 168.548(19) ?
Zn2 Zn1 Ni1 30_555 . 28_555 62.894(12) ?
Zn2 Zn1 Zn3 34_555 . 26_554 132.088(19) ?
Zn2 Zn1 Zn3 34_555 . 30_455 65.187(14) ?
Zn2 Zn1 Zn3 34_555 . 34_545 65.187(14) ?
Zn2 Zn1 Co1 34_555 . 26_555 168.548(19) ?
Zn2 Zn1 Co1 34_555 . 27_555 62.894(12) ?
Zn2 Zn1 Co1 34_555 . 28_555 62.894(12) ?
Zn2 Zn1 Ni1 34_555 . 26_555 168.548(19) ?
Zn2 Zn1 Ni1 34_555 . 27_555 62.894(12) ?
Zn2 Zn1 Ni1 34_555 . 28_555 62.894(12) ?
Zn3 Zn1 Zn3 26_554 . 30_455 78.310(17) ?
Zn3 Zn1 Zn3 26_554 . 34_545 78.310(17) ?
Zn3 Zn1 Co1 26_554 . 26_555 59.364(15) ?
Zn3 Zn1 Co1 26_554 . 27_555 122.736(18) ?
Zn3 Zn1 Co1 26_554 . 28_555 122.736(18) ?
Zn3 Zn1 Ni1 26_554 . 26_555 59.364(15) ?
Zn3 Zn1 Ni1 26_554 . 27_555 122.736(18) ?
Zn3 Zn1 Ni1 26_554 . 28_555 122.736(18) ?
Zn3 Zn1 Zn3 30_455 . 34_545 78.310(17) ?
Zn3 Zn1 Co1 30_455 . 26_555 122.736(18) ?
Zn3 Zn1 Co1 30_455 . 27_555 122.736(18) ?
Zn3 Zn1 Co1 30_455 . 28_555 59.364(15) ?
Zn3 Zn1 Ni1 30_455 . 26_555 122.736(18) ?
Zn3 Zn1 Ni1 30_455 . 27_555 122.736(18) ?
Zn3 Zn1 Ni1 30_455 . 28_555 59.364(15) ?
Zn3 Zn1 Co1 34_545 . 26_555 122.736(18) ?
Zn3 Zn1 Co1 34_545 . 27_555 59.364(15) ?
Zn3 Zn1 Co1 34_545 . 28_555 122.736(18) ?
Zn3 Zn1 Ni1 34_545 . 26_555 122.736(18) ?
Zn3 Zn1 Ni1 34_545 . 27_555 59.364(15) ?
Zn3 Zn1 Ni1 34_545 . 28_555 122.736(18) ?
Co1 Zn1 Co1 26_555 . 27_555 112.557(17) ?
Co1 Zn1 Co1 26_555 . 28_555 112.557(17) ?
Co1 Zn1 Ni1 26_555 . 26_555 0 ?
Co1 Zn1 Ni1 26_555 . 27_555 112.557(17) ?
Co1 Zn1 Ni1 26_555 . 28_555 112.557(17) ?
Co1 Zn1 Co1 27_555 . 28_555 112.557(17) ?
Co1 Zn1 Ni1 27_555 . 26_555 112.557(17) ?
Co1 Zn1 Ni1 27_555 . 27_555 0 ?
Co1 Zn1 Ni1 27_555 . 28_555 112.557(17) ?
Co1 Zn1 Ni1 28_555 . 26_555 112.557(17) ?
Co1 Zn1 Ni1 28_555 . 27_555 112.557(17) ?
Co1 Zn1 Ni1 28_555 . 28_555 0 ?
Ni1 Zn1 Ni1 26_555 . 27_555 112.557(17) ?
Ni1 Zn1 Ni1 26_555 . 28_555 112.557(17) ?
Ni1 Zn1 Ni1 27_555 . 28_555 112.557(17) ?
Zn1 Zn2 Zn1 26_554 . 27_545 61.083(19) ?
Zn1 Zn2 Zn2 26_554 . 2_655 149.458(11) ?
Zn1 Zn2 Zn3 26_554 . 1_554 57.594(12) ?
Zn1 Zn2 Zn3 26_554 . 4_556 105.77(2) ?
Zn1 Zn2 Zn3 26_554 . 29_444 107.138(16) ?
Zn1 Zn2 Zn3 26_554 . 30_455 107.138(16) ?
Zn1 Zn2 Zn3 26_554 . 9_545 105.77(2) ?
Zn1 Zn2 Zn3 26_554 . 11_565 57.594(12) ?
Zn1 Zn2 Co1 26_554 . . 58.874(17) ?
Zn1 Zn2 Co1 26_554 . 4_555 58.874(17) ?
Zn1 Zn2 Ni1 26_554 . . 58.874(17) ?
Zn1 Zn2 Ni1 26_554 . 4_555 58.874(17) ?
Zn1 Zn2 Zn2 27_545 . 2_655 149.458(11) ?
Zn1 Zn2 Zn3 27_545 . 1_554 105.77(2) ?
Zn1 Zn2 Zn3 27_545 . 4_556 57.594(12) ?
Zn1 Zn2 Zn3 27_545 . 29_444 107.138(16) ?
Zn1 Zn2 Zn3 27_545 . 30_455 107.138(16) ?
Zn1 Zn2 Zn3 27_545 . 9_545 57.594(12) ?
Zn1 Zn2 Zn3 27_545 . 11_565 105.77(2) ?
Zn1 Zn2 Co1 27_545 . . 58.874(17) ?
Zn1 Zn2 Co1 27_545 . 4_555 58.874(17) ?
Zn1 Zn2 Ni1 27_545 . . 58.874(17) ?
Zn1 Zn2 Ni1 27_545 . 4_555 58.874(17) ?
Zn2 Zn2 Zn3 2_655 . 1_554 98.821(14) ?
Zn2 Zn2 Zn3 2_655 . 4_556 98.821(14) ?
Zn2 Zn2 Zn3 2_655 . 29_444 69.993(16) ?
Zn2 Zn2 Zn3 2_655 . 30_455 69.993(16) ?
Zn2 Zn2 Zn3 2_655 . 9_545 98.821(14) ?
Zn2 Zn2 Zn3 2_655 . 11_565 98.821(14) ?
Zn2 Zn2 Co1 2_655 . . 126.884(14) ?
Zn2 Zn2 Co1 2_655 . 4_555 126.884(14) ?
Zn2 Zn2 Ni1 2_655 . . 126.884(14) ?
Zn2 Zn2 Ni1 2_655 . 4_555 126.884(14) ?
Zn3 Zn2 Zn3 1_554 . 4_556 162.36(3) ?
Zn3 Zn2 Zn3 1_554 . 29_444 127.181(13) ?
Zn3 Zn2 Zn3 1_554 . 30_455 60.040(12) ?
Zn3 Zn2 Zn3 1_554 . 9_545 105.254(14) ?
Zn3 Zn2 Zn3 1_554 . 11_565 71.933(13) ?
Zn3 Zn2 Co1 1_554 . . 55.820(13) ?
Zn3 Zn2 Co1 1_554 . 4_555 112.193(19) ?
Zn3 Zn2 Ni1 1_554 . . 55.820(13) ?
Zn3 Zn2 Ni1 1_554 . 4_555 112.193(19) ?
Zn3 Zn2 Zn3 4_556 . 29_444 60.040(12) ?
Zn3 Zn2 Zn3 4_556 . 30_455 127.181(13) ?
Zn3 Zn2 Zn3 4_556 . 9_545 71.933(13) ?
Zn3 Zn2 Zn3 4_556 . 11_565 105.254(14) ?
Zn3 Zn2 Co1 4_556 . . 112.193(19) ?
Zn3 Zn2 Co1 4_556 . 4_555 55.820(13) ?
Zn3 Zn2 Ni1 4_556 . . 112.193(19) ?
Zn3 Zn2 Ni1 4_556 . 4_555 55.820(13) ?
Zn3 Zn2 Zn3 29_444 . 30_455 139.99(3) ?
Zn3 Zn2 Zn3 29_444 . 9_545 127.181(13) ?
Zn3 Zn2 Zn3 29_444 . 11_565 60.040(12) ?
Zn3 Zn2 Co1 29_444 . . 163.12(3) ?
Zn3 Zn2 Co1 29_444 . 4_555 56.892(14) ?
Zn3 Zn2 Ni1 29_444 . . 163.12(3) ?
Zn3 Zn2 Ni1 29_444 . 4_555 56.892(14) ?
Zn3 Zn2 Zn3 30_455 . 9_545 60.040(12) ?
Zn3 Zn2 Zn3 30_455 . 11_565 127.181(13) ?
Zn3 Zn2 Co1 30_455 . . 56.892(14) ?
Zn3 Zn2 Co1 30_455 . 4_555 163.12(3) ?
Zn3 Zn2 Ni1 30_455 . . 56.892(14) ?
Zn3 Zn2 Ni1 30_455 . 4_555 163.12(3) ?
Zn3 Zn2 Zn3 9_545 . 11_565 162.36(3) ?
Zn3 Zn2 Co1 9_545 . . 55.820(13) ?
Zn3 Zn2 Co1 9_545 . 4_555 112.193(19) ?
Zn3 Zn2 Ni1 9_545 . . 55.820(13) ?
Zn3 Zn2 Ni1 9_545 . 4_555 112.193(19) ?
Zn3 Zn2 Co1 11_565 . . 112.193(19) ?
Zn3 Zn2 Co1 11_565 . 4_555 55.820(13) ?
Zn3 Zn2 Ni1 11_565 . . 112.193(19) ?
Zn3 Zn2 Ni1 11_565 . 4_555 55.820(13) ?
Co1 Zn2 Co1 . . 4_555 106.23(3) ?
Co1 Zn2 Ni1 . . . 0 ?
Co1 Zn2 Ni1 . . 4_555 106.23(3) ?
Co1 Zn2 Ni1 4_555 . . 106.23(3) ?
Co1 Zn2 Ni1 4_555 . 4_555 0 ?
Ni1 Zn2 Ni1 . . 4_555 106.23(3) ?
Zn1 Zn3 Zn2 26_555 . 1_556 57.219(16) ?
Zn1 Zn3 Zn2 26_555 . 5_556 57.219(16) ?
Zn1 Zn3 Zn2 26_555 . 33_555 148.45(2) ?
Zn1 Zn3 Zn3 26_555 . 30_456 103.837(16) ?
Zn1 Zn3 Zn3 26_555 . 31_655 101.144(17) ?
Zn1 Zn3 Zn3 26_555 . 34_546 103.837(16) ?
Zn1 Zn3 Zn3 26_555 . 36_565 101.144(17) ?
Zn1 Zn3 Co1 26_555 . 1_556 60.451(14) ?
Zn1 Zn3 Co1 26_555 . 26_555 84.722(17) ?
Zn1 Zn3 Ni1 26_555 . 1_556 60.451(14) ?
Zn1 Zn3 Ni1 26_555 . 26_555 84.722(17) ?
Zn2 Zn3 Zn2 1_556 . 5_556 106.15(2) ?
Zn2 Zn3 Zn2 1_556 . 33_555 126.697(17) ?
Zn2 Zn3 Zn3 1_556 . 30_456 56.431(11) ?
Zn2 Zn3 Zn3 1_556 . 31_655 65.670(14) ?
Zn2 Zn3 Zn3 1_556 . 34_546 114.665(18) ?
Zn2 Zn3 Zn3 1_556 . 36_565 154.271(19) ?
Zn2 Zn3 Co1 1_556 . 1_556 60.433(14) ?
Zn2 Zn3 Co1 1_556 . 26_555 102.086(14) ?
Zn2 Zn3 Ni1 1_556 . 1_556 60.433(14) ?
Zn2 Zn3 Ni1 1_556 . 26_555 102.086(14) ?
Zn2 Zn3 Zn2 5_556 . 33_555 126.697(17) ?
Zn2 Zn3 Zn3 5_556 . 30_456 114.665(18) ?
Zn2 Zn3 Zn3 5_556 . 31_655 154.271(19) ?
Zn2 Zn3 Zn3 5_556 . 34_546 56.431(11) ?
Zn2 Zn3 Zn3 5_556 . 36_565 65.670(14) ?
Zn2 Zn3 Co1 5_556 . 1_556 60.433(14) ?
Zn2 Zn3 Co1 5_556 . 26_555 102.086(14) ?
Zn2 Zn3 Ni1 5_556 . 1_556 60.433(14) ?
Zn2 Zn3 Ni1 5_556 . 26_555 102.086(14) ?
Zn2 Zn3 Zn3 33_555 . 30_456 101.120(18) ?
Zn2 Zn3 Zn3 33_555 . 31_655 63.529(13) ?
Zn2 Zn3 Zn3 33_555 . 34_546 101.120(18) ?
Zn2 Zn3 Zn3 33_555 . 36_565 63.529(13) ?
Zn2 Zn3 Co1 33_555 . 1_556 151.10(2) ?
Zn2 Zn3 Co1 33_555 . 26_555 63.723(18) ?
Zn2 Zn3 Ni1 33_555 . 1_556 151.10(2) ?
Zn2 Zn3 Ni1 33_555 . 26_555 63.723(18) ?
Zn3 Zn3 Zn3 30_456 . 31_655 82.102(15) ?
Zn3 Zn3 Zn3 30_456 . 34_546 74.722(17) ?
Zn3 Zn3 Zn3 30_456 . 36_565 149.220(17) ?
Zn3 Zn3 Co1 30_456 . 1_556 57.216(16) ?
Zn3 Zn3 Co1 30_456 . 26_555 140.967(17) ?
Zn3 Zn3 Ni1 30_456 . 1_556 57.216(16) ?
Zn3 Zn3 Ni1 30_456 . 26_555 140.967(17) ?
Zn3 Zn3 Zn3 31_655 . 34_546 149.220(17) ?
Zn3 Zn3 Zn3 31_655 . 36_565 110.392(17) ?
Zn3 Zn3 Co1 31_655 . 1_556 124.230(16) ?
Zn3 Zn3 Co1 31_655 . 26_555 58.869(14) ?
Zn3 Zn3 Ni1 31_655 . 1_556 124.230(16) ?
Zn3 Zn3 Ni1 31_655 . 26_555 58.869(14) ?
Zn3 Zn3 Zn3 34_546 . 36_565 82.102(15) ?
Zn3 Zn3 Co1 34_546 . 1_556 57.216(16) ?
Zn3 Zn3 Co1 34_546 . 26_555 140.967(17) ?
Zn3 Zn3 Ni1 34_546 . 1_556 57.216(16) ?
Zn3 Zn3 Ni1 34_546 . 26_555 140.967(17) ?
Zn3 Zn3 Co1 36_565 . 1_556 124.230(16) ?
Zn3 Zn3 Co1 36_565 . 26_555 58.869(14) ?
Zn3 Zn3 Ni1 36_565 . 1_556 124.230(16) ?
Zn3 Zn3 Ni1 36_565 . 26_555 58.869(14) ?
Co1 Zn3 Co1 1_556 . 26_555 145.174(18) ?
Co1 Zn3 Ni1 1_556 . 1_556 0 ?
Co1 Zn3 Ni1 1_556 . 26_555 145.174(18) ?
Co1 Zn3 Ni1 26_555 . 1_556 145.174(18) ?
Co1 Zn3 Ni1 26_555 . 26_555 0 ?
Ni1 Zn3 Ni1 1_556 . 26_555 145.174(18) ?
Zn1 Co1 Zn1 26_554 . 27_545 60.623(14) ?
Zn1 Co1 Zn1 26_554 . 28_455 60.623(14) ?
Zn1 Co1 Zn2 26_554 . . 58.233(15) ?
Zn1 Co1 Zn2 26_554 . 5_555 58.233(15) ?
Zn1 Co1 Zn2 26_554 . 9_555 107.795(19) ?
Zn1 Co1 Zn3 26_554 . 1_554 60.185(15) ?
Zn1 Co1 Zn3 26_554 . 26_554 167.180(19) ?
Zn1 Co1 Zn3 26_554 . 5_455 111.866(18) ?
Zn1 Co1 Zn3 26_554 . 30_455 108.705(16) ?
Zn1 Co1 Zn3 26_554 . 9_545 111.866(18) ?
Zn1 Co1 Zn3 26_554 . 34_545 108.705(16) ?
Zn1 Co1 Ni1 26_554 . . 0 ?
Zn1 Co1 Zn1 27_545 . 28_455 60.623(14) ?
Zn1 Co1 Zn2 27_545 . . 58.233(15) ?
Zn1 Co1 Zn2 27_545 . 5_555 107.795(19) ?
Zn1 Co1 Zn2 27_545 . 9_555 58.233(15) ?
Zn1 Co1 Zn3 27_545 . 1_554 111.866(18) ?
Zn1 Co1 Zn3 27_545 . 26_554 108.705(16) ?
Zn1 Co1 Zn3 27_545 . 5_455 111.866(18) ?
Zn1 Co1 Zn3 27_545 . 30_455 108.705(16) ?
Zn1 Co1 Zn3 27_545 . 9_545 60.185(15) ?
Zn1 Co1 Zn3 27_545 . 34_545 167.180(19) ?
Zn1 Co1 Ni1 27_545 . . 0 ?
Zn1 Co1 Zn2 28_455 . . 107.795(19) ?
Zn1 Co1 Zn2 28_455 . 5_555 58.233(15) ?
Zn1 Co1 Zn2 28_455 . 9_555 58.233(15) ?
Zn1 Co1 Zn3 28_455 . 1_554 111.866(18) ?
Zn1 Co1 Zn3 28_455 . 26_554 108.705(16) ?
Zn1 Co1 Zn3 28_455 . 5_455 60.185(15) ?
Zn1 Co1 Zn3 28_455 . 30_455 167.180(19) ?
Zn1 Co1 Zn3 28_455 . 9_545 111.866(18) ?
Zn1 Co1 Zn3 28_455 . 34_545 108.705(16) ?
Zn1 Co1 Ni1 28_455 . . 0 ?
Zn2 Co1 Zn2 . . 5_555 111.041(16) ?
Zn2 Co1 Zn2 . . 9_555 111.041(16) ?
Zn2 Co1 Zn3 . . 1_554 63.748(13) ?
Zn2 Co1 Zn3 . . 26_554 124.023(17) ?
Zn2 Co1 Zn3 . . 5_455 167.98(2) ?
Zn2 Co1 Zn3 . . 30_455 59.385(15) ?
Zn2 Co1 Zn3 . . 9_545 63.748(13) ?
Zn2 Co1 Zn3 . . 34_545 124.023(17) ?
Zn2 Co1 Ni1 . . . 0 ?
Zn2 Co1 Zn2 5_555 . 9_555 111.041(16) ?
Zn2 Co1 Zn3 5_555 . 1_554 63.748(13) ?
Zn2 Co1 Zn3 5_555 . 26_554 124.023(17) ?
Zn2 Co1 Zn3 5_555 . 5_455 63.748(13) ?
Zn2 Co1 Zn3 5_555 . 30_455 124.023(17) ?
Zn2 Co1 Zn3 5_555 . 9_545 167.98(2) ?
Zn2 Co1 Zn3 5_555 . 34_545 59.385(15) ?
Zn2 Co1 Ni1 5_555 . . 0 ?
Zn2 Co1 Zn3 9_555 . 1_554 167.98(2) ?
Zn2 Co1 Zn3 9_555 . 26_554 59.385(15) ?
Zn2 Co1 Zn3 9_555 . 5_455 63.748(13) ?
Zn2 Co1 Zn3 9_555 . 30_455 124.023(17) ?
Zn2 Co1 Zn3 9_555 . 9_545 63.748(13) ?
Zn2 Co1 Zn3 9_555 . 34_545 124.023(17) ?
Zn2 Co1 Ni1 9_555 . . 0 ?
Zn3 Co1 Zn3 1_554 . 26_554 132.635(18) ?
Zn3 Co1 Zn3 1_554 . 5_455 118.981(17) ?
Zn3 Co1 Zn3 1_554 . 30_455 63.915(13) ?
Zn3 Co1 Zn3 1_554 . 9_545 118.981(17) ?
Zn3 Co1 Zn3 1_554 . 34_545 63.915(13) ?
Zn3 Co1 Ni1 1_554 . . 0 ?
Zn3 Co1 Zn3 26_554 . 5_455 63.915(13) ?
Zn3 Co1 Zn3 26_554 . 30_455 80.824(14) ?
Zn3 Co1 Zn3 26_554 . 9_545 63.915(13) ?
Zn3 Co1 Zn3 26_554 . 34_545 80.824(14) ?
Zn3 Co1 Ni1 26_554 . . 0 ?
Zn3 Co1 Zn3 5_455 . 30_455 132.635(18) ?
Zn3 Co1 Zn3 5_455 . 9_545 118.981(17) ?
Zn3 Co1 Zn3 5_455 . 34_545 63.915(13) ?
Zn3 Co1 Ni1 5_455 . . 0 ?
Zn3 Co1 Zn3 30_455 . 9_545 63.915(13) ?
Zn3 Co1 Zn3 30_455 . 34_545 80.824(14) ?
Zn3 Co1 Ni1 30_455 . . 0 ?
Zn3 Co1 Zn3 9_545 . 34_545 132.635(18) ?
Zn3 Co1 Ni1 9_545 . . 0 ?
Zn3 Co1 Ni1 34_545 . . 0 ?
Zn1 Ni1 Zn1 26_554 . 27_545 60.623(14) ?
Zn1 Ni1 Zn1 26_554 . 28_455 60.623(14) ?
Zn1 Ni1 Zn2 26_554 . . 58.233(15) ?
Zn1 Ni1 Zn2 26_554 . 5_555 58.233(15) ?
Zn1 Ni1 Zn2 26_554 . 9_555 107.795(19) ?
Zn1 Ni1 Zn3 26_554 . 1_554 60.185(15) ?
Zn1 Ni1 Zn3 26_554 . 26_554 167.180(19) ?
Zn1 Ni1 Zn3 26_554 . 5_455 111.866(18) ?
Zn1 Ni1 Zn3 26_554 . 30_455 108.705(16) ?
Zn1 Ni1 Zn3 26_554 . 9_545 111.866(18) ?
Zn1 Ni1 Zn3 26_554 . 34_545 108.705(16) ?
Zn1 Ni1 Co1 26_554 . . 0 ?
Zn1 Ni1 Zn1 27_545 . 28_455 60.623(14) ?
Zn1 Ni1 Zn2 27_545 . . 58.233(15) ?
Zn1 Ni1 Zn2 27_545 . 5_555 107.795(19) ?
Zn1 Ni1 Zn2 27_545 . 9_555 58.233(15) ?
Zn1 Ni1 Zn3 27_545 . 1_554 111.866(18) ?
Zn1 Ni1 Zn3 27_545 . 26_554 108.705(16) ?
Zn1 Ni1 Zn3 27_545 . 5_455 111.866(18) ?
Zn1 Ni1 Zn3 27_545 . 30_455 108.705(16) ?
Zn1 Ni1 Zn3 27_545 . 9_545 60.185(15) ?
Zn1 Ni1 Zn3 27_545 . 34_545 167.180(19) ?
Zn1 Ni1 Co1 27_545 . . 0 ?
Zn1 Ni1 Zn2 28_455 . . 107.795(19) ?
Zn1 Ni1 Zn2 28_455 . 5_555 58.233(15) ?
Zn1 Ni1 Zn2 28_455 . 9_555 58.233(15) ?
Zn1 Ni1 Zn3 28_455 . 1_554 111.866(18) ?
Zn1 Ni1 Zn3 28_455 . 26_554 108.705(16) ?
Zn1 Ni1 Zn3 28_455 . 5_455 60.185(15) ?
Zn1 Ni1 Zn3 28_455 . 30_455 167.180(19) ?
Zn1 Ni1 Zn3 28_455 . 9_545 111.866(18) ?
Zn1 Ni1 Zn3 28_455 . 34_545 108.705(16) ?
Zn1 Ni1 Co1 28_455 . . 0 ?
Zn2 Ni1 Zn2 . . 5_555 111.041(16) ?
Zn2 Ni1 Zn2 . . 9_555 111.041(16) ?
Zn2 Ni1 Zn3 . . 1_554 63.748(13) ?
Zn2 Ni1 Zn3 . . 26_554 124.023(17) ?
Zn2 Ni1 Zn3 . . 5_455 167.98(2) ?
Zn2 Ni1 Zn3 . . 30_455 59.385(15) ?
Zn2 Ni1 Zn3 . . 9_545 63.748(13) ?
Zn2 Ni1 Zn3 . . 34_545 124.023(17) ?
Zn2 Ni1 Co1 . . . 0 ?
Zn2 Ni1 Zn2 5_555 . 9_555 111.041(16) ?
Zn2 Ni1 Zn3 5_555 . 1_554 63.748(13) ?
Zn2 Ni1 Zn3 5_555 . 26_554 124.023(17) ?
Zn2 Ni1 Zn3 5_555 . 5_455 63.748(13) ?
Zn2 Ni1 Zn3 5_555 . 30_455 124.023(17) ?
Zn2 Ni1 Zn3 5_555 . 9_545 167.98(2) ?
Zn2 Ni1 Zn3 5_555 . 34_545 59.385(15) ?
Zn2 Ni1 Co1 5_555 . . 0 ?
Zn2 Ni1 Zn3 9_555 . 1_554 167.98(2) ?
Zn2 Ni1 Zn3 9_555 . 26_554 59.385(15) ?
Zn2 Ni1 Zn3 9_555 . 5_455 63.748(13) ?
Zn2 Ni1 Zn3 9_555 . 30_455 124.023(17) ?
Zn2 Ni1 Zn3 9_555 . 9_545 63.748(13) ?
Zn2 Ni1 Zn3 9_555 . 34_545 124.023(17) ?
Zn2 Ni1 Co1 9_555 . . 0 ?
Zn3 Ni1 Zn3 1_554 . 26_554 132.635(18) ?
Zn3 Ni1 Zn3 1_554 . 5_455 118.981(17) ?
Zn3 Ni1 Zn3 1_554 . 30_455 63.915(13) ?
Zn3 Ni1 Zn3 1_554 . 9_545 118.981(17) ?
Zn3 Ni1 Zn3 1_554 . 34_545 63.915(13) ?
Zn3 Ni1 Co1 1_554 . . 0 ?
Zn3 Ni1 Zn3 26_554 . 5_455 63.915(13) ?
Zn3 Ni1 Zn3 26_554 . 30_455 80.824(14) ?
Zn3 Ni1 Zn3 26_554 . 9_545 63.915(13) ?
Zn3 Ni1 Zn3 26_554 . 34_545 80.824(14) ?
Zn3 Ni1 Co1 26_554 . . 0 ?
Zn3 Ni1 Zn3 5_455 . 30_455 132.635(18) ?
Zn3 Ni1 Zn3 5_455 . 9_545 118.981(17) ?
Zn3 Ni1 Zn3 5_455 . 34_545 63.915(13) ?
Zn3 Ni1 Co1 5_455 . . 0 ?
Zn3 Ni1 Zn3 30_455 . 9_545 63.915(13) ?
Zn3 Ni1 Zn3 30_455 . 34_545 80.824(14) ?
Zn3 Ni1 Co1 30_455 . . 0 ?
Zn3 Ni1 Zn3 9_545 . 34_545 132.635(18) ?
Zn3 Ni1 Co1 9_545 . . 0 ?
Zn3 Ni1 Co1 34_545 . . 0 ?

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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
? ? ? ? ? ? ? ? ? ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
? ? ? ? ? ? ? ? ? ? ?


