Cobalt complexes of redox noninnocent azo-aromatic pincers. Isolation, characterization, and application as catalysts for the synthesis of quinazolin-4(3H)-ones.
Sinha, Suman; Das, Siuli; Mondal, Rakesh; Mandal, Sutanuva; Paul, Nanda D.; Dalton transactions (Cambridge, England : 2003) 49 (2020) 8448–8459; doi:10.1039/d0dt00394h

data_7703688
_publ_section_title
;
 Cobalt complexes of redox noninnocent azo-aromatic pincers. Isolation,
 characterization, and application as catalysts for the synthesis of
 quinazolin-4(3H)-ones.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8448
_journal_page_last               8459
_journal_paper_doi               10.1039/d0dt00394h
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C18 H11 Cl3 Co N4'
_chemical_formula_weight         448.59
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-03-02 deposited with the CCDC.	2020-03-04 downloaded from the CCDC.
;
_cell_angle_alpha                89.496(4)
_cell_angle_beta                 87.482(5)
_cell_angle_gamma                71.661(4)
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_cell_length_b                   9.7562(9)
_cell_length_c                   10.7268(10)
_cell_measurement_reflns_used    518
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2,99
_cell_volume                     887.74(15)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0668
_diffrn_reflns_av_unetI/netI     0.0414
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
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_diffrn_reflns_number            21314
_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_max         25.871
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_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.427
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.4412
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.678
_exptl_crystal_description       block
_exptl_crystal_F_000             450
_refine_diff_density_max         0.607
_refine_diff_density_min         -0.518
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     235
_refine_ls_number_reflns         3406
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0512
_refine_ls_R_factor_gt           0.0399
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0680P)^2^+0.4482P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1083
_refine_ls_wR_factor_ref         0.1186
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2805
_reflns_number_total             3406
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt00394h2.cif
_cod_data_source_block           1b_Om
_cod_depositor_comments
'Adding full bibliography for 7703688--7703690.cif.'
_cod_database_code               7703688
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              16421