Magnetic Behaviors of Heterospin Chains Consisting of Cobalt(II) Complexes and Dipyridylcarbenes
Satoru Karasawa; Noboru Koga; Inorganic Chemistry 50 (2011) 2055–2057; doi:10.1021/ic102322u

data_4324661
_publ_section_title
;
 Magnetic Behaviors of Heterospin Chains Consisting of Cobalt(II)
 Complexes and Dipyridylcarbenes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2055
_journal_page_last               2057
_journal_paper_doi               10.1021/ic102322u
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C33 H18 Br2 Co F12 N6 O2 '
_chemical_formula_sum            'C33 H18 Br2 Co F12 N6 O2'
_chemical_formula_weight         977.27
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 112.831(12)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   15.609(4)
_cell_length_b                   13.760(4)
_cell_length_c                   18.610(7)
_cell_measurement_reflns_used    17902
_cell_measurement_temperature    133.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     3684(2)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR97
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  RAPID-HR
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.134
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            36118
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    2.743
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.706
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.762
_exptl_crystal_description       chip
_exptl_crystal_F_000             1916.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.76
_refine_diff_density_min         -1.04
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.954
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     506
_refine_ls_number_reflns         8394
_refine_ls_R_factor_gt           0.0629
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0473P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1585
_reflns_number_gt                3909
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic102322u_si_002.cif
_cod_data_source_block           '_0901192'
_cod_original_cell_volume        3684.0(19)
_cod_original_formula_sum        'C33 H18 Br2 Co F12 N6 O2 '
_cod_database_code               4324661