Spin-crossover in a homoleptic cobalt(ii) complex containing a redox-active NNO ligand
R. A. Taylor; A. J. Lough; M. T. Lemaire; Journal of Materials Chemistry C 4 (2016) 455–459; doi:10.1039/C5TC03137K

data_7234542
_publ_section_title
;
 Spin-crossover in a homoleptic cobalt(ii) complex containing a
 redox-active NNO ligand
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              455
_journal_page_last               459
_journal_paper_doi               10.1039/C5TC03137K
_journal_volume                  4
_journal_year                    2016
_chemical_formula_moiety         'C38 H24 Co N6 O2'
_chemical_formula_sum            'C38 H24 Co N6 O2'
_chemical_formula_weight         655.56
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
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_cell_angle_beta                 120.899(2)
_cell_angle_gamma                90
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_cell_length_b                   17.2515(7)
_cell_length_c                   19.1030(8)
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_cell_measurement_temperature    325(2)
_cell_measurement_theta_max      64.35
_cell_measurement_theta_min      3.53
_cell_volume                     6014.6(5)
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_diffrn_ambient_temperature      325(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker Kappa APEX-DUO CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_Laue_measured_fraction_full 0.988
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_diffrn_reflns_point_group_measured_fraction_full 0.988
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_diffrn_reflns_theta_min         3.525
_diffrn_source                   'Bruker ImuS with multi-layer optics'
_exptl_absorpt_coefficient_mu    4.852
_exptl_absorpt_correction_T_max  0.7529
_exptl_absorpt_correction_T_min  0.6426
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.448
_exptl_crystal_description       Block
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_refine_ls_matrix_type           full
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0566
_refine_ls_R_factor_gt           0.0368
_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^)+(0.0368P)^2^+4.5436P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_original_cell_volume        6014.6(4)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7234542
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_shelx_estimated_absorpt_t_max   0.571
_shelx_res_checksum              77694
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