Synthesis, Structural, Spectroscopic, and Magnetic Characterization of Two-Coordinate Cobalt(II) Aryloxides with Bent or Linear Coordination.
Bryan, Aimee M.; Long, Gary J.; Grandjean, Fernande; Power, Philip P.; Inorganic chemistry 53 (2014) 2692–2698; doi:10.1021/ic403098p

data_4337758
_publ_section_title
;
 Synthesis, Structural, Spectroscopic, and Magnetic Characterization of
 Two-Coordinate Cobalt(II) Aryloxides with Bent or Linear Coordination.
;
_journal_issue                   5
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2692
_journal_page_last               2698
_journal_paper_doi               10.1021/ic403098p
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C48 H50 Co0.95 O2'
_chemical_formula_sum            'C48 H50 Co0.95 O2'
_chemical_formula_weight         714.85
_chemical_name_systematic
;
 ?
;
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
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_cell_angle_beta                 95.692(2)
_cell_angle_gamma                105.565(2)
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_cell_length_b                   11.5699(17)
_cell_length_c                   19.045(3)
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_cell_measurement_theta_min      2.73
_cell_volume                     1888.9(5)
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_diffrn_ambient_temperature      90(2)
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_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.904
_diffrn_measurement_device_type  'SMART Apex'
_diffrn_measurement_method       \w
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_diffrn_reflns_number            21223
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.904
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.921
_diffrn_reflns_theta_min         2.734
_diffrn_source                   'fine-focused sealed tube'
_exptl_absorpt_coefficient_mu    0.472
_exptl_absorpt_correction_T_max  0.7458
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick,2008)'
_exptl_crystal_colour            red
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_exptl_crystal_description       block
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_exptl_crystal_size_min          0.184
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_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     473
_refine_ls_number_reflns         9020
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.918
_refine_ls_R_factor_all          0.1148
_refine_ls_R_factor_gt           0.0551
_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^)+(0.0519P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                5333
_reflns_number_total             9020
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic403098p_si_002.cif
_cod_data_source_block           amb50a
_cod_database_code               4337758
_shelx_estimated_absorpt_t_min   0.727
_shelx_estimated_absorpt_t_max   0.918
_shelxl_version_number           2013-3
_shelx_res_checksum              23995
_shelx_hkl_checksum              94694