Substituents drive ligand rearrangements, giving dinuclear rather than mononuclear complexes, and tune Co<sup>II/III</sup> redox potential.
Karabulut, Fabrice N. H.; Feltham, Humphrey L. C.; Brooker, Sally; Dalton transactions (Cambridge, England : 2003) 47 (2018) 11749–11759; doi:10.1039/c8dt01502c

data_7702196
_publ_section_title
;
 Substituents drive ligand rearrangements, giving dinuclear rather than
 mononuclear complexes, and tune Co<sup>II/III</sup> redox potential.
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11749
_journal_page_last               11759
_journal_paper_doi               10.1039/c8dt01502c
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C17 H22 B2 Br2 Co F8 N4 O3'
_chemical_formula_weight         722.75
_chemical_name_common            'anticipated monometallic cobalt(II) complex'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-04-16 deposited with the CCDC.
2018-05-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.838(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.6911(4)
_cell_length_b                   11.6204(4)
_cell_length_c                   22.6509(7)
_cell_measurement_reflns_used    10375
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      74.3740
_cell_measurement_theta_min      3.9950
_cell_volume                     2545.10(16)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0586
_diffrn_reflns_av_unetI/netI     0.0403
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            19335
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.993
_diffrn_reflns_theta_min         3.912
_exptl_absorpt_coefficient_mu    9.778
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.38435
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.886
_exptl_crystal_description       Cube
_exptl_crystal_F_000             1420
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: From MeOH by vapour diffusion of diethylether'
_exptl_crystal_size_max          0.341
_exptl_crystal_size_mid          0.118
_exptl_crystal_size_min          0.090
_refine_diff_density_max         1.291
_refine_diff_density_min         -0.881
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     345
_refine_ls_number_reflns         5129
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0578
_refine_ls_R_factor_gt           0.0515
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0760P)^2^+4.5093P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1374
_refine_ls_wR_factor_ref         0.1434
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4517
_reflns_number_total             5129
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt01502c2.cif
_cod_data_source_block           FHN329
_cod_original_cell_volume        2545.09(16)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7702196
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.135
_shelx_estimated_absorpt_t_max   0.473
_shelx_res_checksum              86423