Controlling oxidation of bis-tridentate cobalt(II) complexes having bis(2-pyridylalkyl)amines: Ligand vs. metal oxidation
S, Anjana; Saloisanei, Donring; Panda, Sanjib; Varghese, Babu; Murthy, Narasimha N.; Dalton Trans.  (2017) –; doi:10.1039/C7DT01792H

data_7043126
_publ_section_title
;
 Controlling oxidation of bis-tridentate cobalt(II) complexes having
 bis(2-pyridylalkyl)amines: Ligand vs. metal oxidation
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT01792H
_journal_year                    2017
_chemical_formula_sum            'C26 H30 Cl2 Co N6 O8'
_chemical_formula_weight         684.39
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2017-05-15 deposited with the CCDC.
2017-05-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_length_c                   12.0722(15)
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_cell_measurement_theta_max      23.7
_cell_measurement_theta_min      2.7
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_computing_cell_refinement       'APEX2/SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
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_computing_molecular_graphics    'Mercury (Macrae et al., 2006'
_computing_publication_material  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SIR92 (Altornare et al., 1993)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker axs kappa apex2 CCD Diffractometer'
_diffrn_measurement_method       '\w and \f scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0596
_diffrn_reflns_av_unetI/netI     0.0453
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       11
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_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
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_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            16026
_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_min         2.279
_diffrn_source                   'Sealed tube'
_exptl_absorpt_coefficient_mu    0.832
_exptl_absorpt_correction_T_max  0.84
_exptl_absorpt_correction_T_min  0.72
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2012)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.559
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_refine_diff_density_max         1.045
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_refine_ls_extinction_method     none
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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^)+(0.1112P)^2^+2.7746P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1899
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_reflns_Friedel_coverage         0.000
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_reflns_number_total             2563
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt01792h2.cif
_cod_data_source_block           complex1
_cod_original_cell_volume        1457.7(4)
_cod_database_code               7043126
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.760
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_shelx_res_checksum              70747