A metalloligand appended with benzimidazole rings: tetranuclear [CoZn3] and [CoCd3] complexes and their catalytic applications
Pandey, Saurabh; Bansal, Deepak; Gupta, Rajeev; New Journal of Chemistry 42 (2018) 9847–; doi:10.1039/C8NJ00734A

data_7057394
_publ_section_title
;
 A metalloligand appended with benzimidazole rings: tetranuclear [CoZn3]
 and [CoCd3] complexes and their catalytic applications
;
_journal_issue                   12
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              9847
_journal_paper_doi               10.1039/C8NJ00734A
_journal_volume                  42
_journal_year                    2018
_chemical_formula_moiety
'C48 H39 Cl3 Co N16 O7 Zn3, C48 H40 Cl3 Co N16 O7 Zn3, 5(C3 H7 N O)'
_chemical_formula_sum            'C111 H115 Cl6 Co2 N37 O19 Zn6'
_chemical_formula_weight         2994.17
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2018-05-02 deposited with the CCDC.
2018-05-08 downloaded from the CCDC.
;
_cell_angle_alpha                79.384(2)
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_diffrn_ambient_temperature      273(2)
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_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Xcalibur, Ruby, Gemini'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_h_min       -20
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_diffrn_reflns_limit_k_min       -23
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_diffrn_reflns_limit_l_min       -34
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_diffrn_source                   'fine-focus sealed tube'
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0761P)^2^+19.8400P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1561
_refine_ls_wR_factor_ref         0.1835
_reflns_Friedel_coverage         0.000
_reflns_number_gt                20728
_reflns_number_total             33064
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8nj00734a2.cif
_cod_data_source_block           2-Cl
_cod_depositor_comments
'Adding full bibliography for 7057392--7057394.cif.'
_cod_original_cell_volume        6608.8(10)
_cod_database_code               7057394
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.742
_shelx_estimated_absorpt_t_max   0.783
_shelx_res_checksum              74553
_shelx_fab_checksum              32666
_platon_squeeze_void_probe_radius 1.20