Synthesis, Structure, and Magnetic Properties of Dinuclear Cobalt(II) Complexes with a New Phenol-Based Dinucleating Ligand with Four Hydroxyethyl Chelating Arms
Md. Jamil Hossain; Mikio Yamasaki; Masahiro Mikuriya; Atsushi Kuribayashi; Hiroshi Sakiyama; Inorganic Chemistry 41 (2002) 4058–4062; doi:10.1021/ic0255297

data_4318275
_publ_section_title
;
 Synthesis, Structure, and Magnetic Properties of Dinuclear Cobalt(II)
 Complexes with a New Phenol-Based Dinucleating Ligand with Four
 Hydroxyethyl Chelating Arms
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4058
_journal_page_last               4062
_journal_paper_doi               10.1021/ic0255297
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C50 H62.5 B Co2 N4.5 O9'
_chemical_formula_weight         999.24
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.930(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   25.424(5)
_cell_length_b                   13.376(2)
_cell_length_c                   29.913(6)
_cell_measurement_reflns_used    18468
_cell_measurement_temperature    113.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     9782(3)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.9918
_diffrn_measured_fraction_theta_max 0.9918
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.044
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            45995
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.738
_exptl_absorpt_correction_T_max  0.889
_exptl_absorpt_correction_T_min  0.767
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.357
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Platelet
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.160
_refine_diff_density_max         0.74
_refine_diff_density_min         -0.50
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     608
_refine_ls_number_reflns         11123
_refine_ls_R_factor_gt           0.0346
_refine_ls_shift/su_max          0.0030
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.03000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0811
_reflns_number_gt                8699
_reflns_number_total             11123
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic0255297.cif
_cod_data_source_block           ymr004_Yamagata_Univ._Dr._
_cod_original_cell_volume        9781(3)
_cod_original_formula_sum        'C50 H62.50 B Co2 N4.50 O9 '
_cod_database_code               4318275