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_4324662
_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           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.584(11)
_cell_angle_beta                 99.842(10)
_cell_angle_gamma                103.601(9)
_cell_formula_units_Z            2
_cell_length_a                   9.8093(16)
_cell_length_b                   13.043(2)
_cell_length_c                   14.578(2)
_cell_measurement_reflns_used    12906
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      68.2
_cell_measurement_theta_min      3.1
_cell_volume                     1781.7(5)
_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_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.146
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            17896
_diffrn_reflns_theta_full        68.20
_diffrn_reflns_theta_max         68.21
_exptl_absorpt_coefficient_mu    7.368
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.621
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
     Higashi, T. (1995). Program for Absorption Correction.
     Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.822
_exptl_crystal_description       platelet
_exptl_crystal_F_000             958.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.89
_refine_diff_density_min         -0.61
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.189
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     509
_refine_ls_number_reflns         6324
_refine_ls_R_factor_gt           0.0850
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0580P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2086
_reflns_number_gt                3930
_reflns_number_total             6324
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic102322u_si_003.cif
_cod_data_source_block           '_triclinic'
_cod_original_cell_volume        1781.6(5)
_cod_original_formula_sum        'C33 H18 Br2 Co F12 N6 O2 '
_cod_database_code               4324662