Synthesis, Structures, and Magnetic Properties of Heterodimetal Bis(μ-hydroxo)chromium(III)nickel(II) Complexes with Tpa Derivatives Having Sterically Bulky Substituents
Kazushi Shiren; Shuhei Fujinami; Masatatsu Suzuki; Akira Uehara; Inorganic Chemistry 41 (2002) 1598–1605; doi:10.1021/ic010568o

data_4317681
_publ_contact_author_address
;
Department of Chemistry, Faculty of Science, Kanazawa University, Kakuma-
machi, Kanazawa 920-1192, Japan
;
_publ_contact_author_email       ' suzuki@cacheibm.s.kanazawa-u.ac.jp '
_publ_contact_author_fax         ' +81-76-264-5742 '
_publ_contact_author_name        ' M. Suzuki'
_publ_contact_author_phone       ' +81-76-264-5701 '
_publ_section_title
;
 Synthesis, Structures, and Magnetic Properties of Heterodimetal
 Bis(\m-hydroxo)chromium(III)nickel(II) Complexes with Tpa Derivatives
 Having Sterically Bulky Substituents
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1598
_journal_page_last               1605
_journal_paper_doi               10.1021/ic010568o
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C42 H37 Cl3 Cr N8 Ni O14.5'
_chemical_formula_weight         1102.85
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.97(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.070(2)
_cell_length_b                   17.503(2)
_cell_length_c                   21.844(2)
_cell_measurement_temperature    293.2
_cell_volume                     4597.4(10)
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SHELXS86
_diffrn_measured_fraction_theta_full 0.8630
_diffrn_measured_fraction_theta_max 0.8630
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            7631
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_exptl_absorpt_coefficient_mu    0.898
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.593
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.96
_refine_diff_density_min         -0.58
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.550
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     626
_refine_ls_number_reflns         5545
_refine_ls_R_factor_gt           0.0565
_refine_ls_shift/su_max          0.0120
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00126|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0812
_reflns_number_gt                5545
_reflns_number_total             7544
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            ic010568o_2.cif
_cod_data_source_block           Complex1
_cod_original_cell_volume        4597.3(9)
_cod_original_formula_sum        'C42 H37 Cl3 Cr N8 O14.50 Ni '
_cod_database_code               4317681