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_4337760
_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         'C60 H74 Co0.85 O2'
_chemical_formula_sum            'C60 H74 Co0.85 O2'
_chemical_formula_weight         877.03
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
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_cell_angle_beta                 90.4110(11)
_cell_angle_gamma                90
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_cell_length_c                   11.1732(9)
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_diffrn_ambient_temperature      90(2)
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_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Apex2'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0467
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_max         27.482
_diffrn_reflns_theta_min         2.016
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.346
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6880
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2012)'
_exptl_crystal_colour            red
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_exptl_crystal_size_min          0.141
_refine_diff_density_max         1.072
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_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         5547
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0690
_refine_ls_R_factor_gt           0.0501
_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^)+(0.0515P)^2^+1.7196P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1188
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                4275
_reflns_number_total             5547
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic403098p_si_002.cif
_cod_data_source_block           amb41
_cod_database_code               4337760
_shelx_estimated_absorpt_t_min   0.736
_shelx_estimated_absorpt_t_max   0.778
_shelxl_version_number           2013-3
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_shelx_hkl_checksum              23926