Pressure Response of Three-Dimensional Cyanide-Bridged Bimetallic Magnets
Masaaki Ohba; Wakako Kaneko; Susumu Kitagawa; Takuho Maeda; Masaki Mito; Journal of the American Chemical Society 130 (2008) 4475–4484; doi:10.1021/ja7110509

data_4107627
_publ_contact_author_address
;
Department of Synthetic Chemistry and Biological Chemistry, 
Graduate School of Engineering, Kyoto University, 
Katura, Nishikyo-ku, Kyoto 615-8510, Japan
;
_publ_contact_author_email       ' ohba@sbchem.kyoto-u.ac.jp'
_publ_contact_author_fax         ' +81-75-383-2732'
_publ_contact_author_name        ' Masaaki Ohba'
_publ_contact_author_phone       ' +81-75-383-2807'
_publ_section_title
;
 Pressure Response of Three-Dimensional Cyanide-Bridged Bimetallic Magnets
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4475
_journal_page_last               4484
_journal_paper_doi               10.1021/ja7110509
_journal_volume                  130
_journal_year                    2008
_chemical_formula_sum            'C18 H32 Cr2 Mn3 N18 O4'
_chemical_formula_weight         833.37
_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                 120.69(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.505(7)
_cell_length_b                   11.323(4)
_cell_length_c                   14.810(4)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.5
_cell_volume                     3534(2)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    directMethod
_diffrn_measurement_device_type  'Rigaku AFC5S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.013
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4361
_diffrn_standards_decay_%        5.53
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    16.90
_exptl_absorpt_correction_T_max  0.713
_exptl_absorpt_correction_T_min  0.652
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            light
_exptl_crystal_density_diffrn    1.566
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.65
_refine_diff_density_min         -0.59
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     'Zachariasen(1967) type 2 gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.700
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     205
_refine_ls_number_reflns         3032
_refine_ls_R_factor_gt           0.0000
_refine_ls_shift/su_max          0.1190
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00016|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0420
_reflns_number_gt                0
_reflns_number_total             0
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja7110509-file002_2.cif
_cod_data_source_block           '[Mn(en)]3[Cr(CN)6]2.4H2O'
_cod_original_cell_volume        3533(1)
_cod_original_formula_sum        'C18 H32 Cr2 N18 Mn3 O4 '
_cod_database_code               4107627