Chiral Cyanide-Bridged MnIIMnIII Ferrimagnets, [MnII(HL)(H2O)][MnIII(CN)6].2H2O (L = S- or R-1,2-diaminopropane): Syntheses, Structures, and Magnetic Behaviors
Wakako Kaneko; Susumu Kitagawa; Masaaki Ohba; Journal of the American Chemical Society 129 (2007) 248–249; doi:10.1021/ja066140b

data_4108968
_publ_contact_author_address
;
Department of Synthetic Chemistry and Biological Chemistry, 
Graduate School of Engineering, Kyoto University, Katsura, 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
;
 Chiral Cyanide-Bridged MnIIMnIII Ferrimagnets,
 [MnII(HL)(H2O)][MnIII(CN)6].2H2O (L = S- or R-1,2-diaminopropane):
 Syntheses, Structures, and Magnetic Behaviors
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              248
_journal_page_last               249
_journal_paper_doi               10.1021/ja066140b
_journal_volume                  129
_journal_year                    2007
_chemical_formula_sum            'C9 H17 Mn2 N8 O3'
_chemical_formula_weight         395.16
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_creation_date             'Thu Nov 30 16:37:23 2006'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.5145(5)
_cell_length_b                   14.261(1)
_cell_length_c                   14.844(1)
_cell_measurement_reflns_used    5474
_cell_measurement_temperature    243.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     1590.75(19)
_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    directMethod
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.9971
_diffrn_measured_fraction_theta_max 0.9971
_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  0.043
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            13637
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.611
_exptl_absorpt_correction_T_max  0.923
_exptl_absorpt_correction_T_min  0.923
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'Dark Red'
_exptl_crystal_density_diffrn    1.650
_exptl_crystal_description       Platelet
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.95
_refine_diff_density_min         -0.61
_refine_ls_abs_structure_Flack   -0.02(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     191
_refine_ls_number_reflns         13245
_refine_ls_R_factor_gt           0.0422
_refine_ls_shift/su_max          0.0015
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.07200(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1160
_reflns_number_gt                11767
_reflns_number_total             2092
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja066140bsi20061130_060127.cif
_cod_data_source_block           '_MnMnR-pn(1R)'
_cod_original_cell_volume        1590.7(2)
_cod_original_sg_symbol_H-M      'P 21 21 21 '
_cod_original_formula_sum        'C9 H17 N8 Mn2 O3 '
_cod_database_code               4108968