Manganese(II)-Octacyanometallate(V) Bimetallic Ferrimagnets with Tc from 41 to 53 K Obtained in Acidic Media
Tian-Wei Wang; Jun Wang; Shin-ichi Ohkoshi; You Song; Xiao-Zeng You; Inorganic Chemistry 49 (2010) 7756–7763; doi:10.1021/ic100591h

data_4316361
_publ_section_title
;
 Manganese(II)-Octacyanometallate(V) Bimetallic Ferrimagnets with Tc from
 41 to 53 K Obtained in Acidic Media
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7756
_journal_page_last               7763
_journal_paper_doi               10.1021/ic100591h
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety
'32(C H0.25 Mn0.22 N O0.13 W0.13), 2(C H O3), 4(H2 O), 4.03(H)'
_chemical_formula_sum            'C34 H22 Mn7 N32 O14 W4'
_chemical_formula_weight         2222.82
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   7.6047(6)
_cell_length_b                   7.6047(6)
_cell_length_c                   28.901(4)
_cell_measurement_reflns_used    371
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      27.22
_cell_measurement_theta_min      2.76
_cell_volume                     1671.4(3)
_computing_cell_refinement       'SMART '
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Smart Aepex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0295
_diffrn_reflns_av_sigmaI/netI    0.0363
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            1614
_diffrn_reflns_theta_full        27.96
_diffrn_reflns_theta_max         27.96
_diffrn_reflns_theta_min         1.41
_exptl_absorpt_coefficient_mu    8.198
_exptl_absorpt_correction_T_max  0.19
_exptl_absorpt_correction_T_min  0.13
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; bruker, 2000'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    2.208
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1033
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.936
_refine_diff_density_min         -0.838
_refine_diff_density_rms         0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     57
_refine_ls_number_reflns         651
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0386
_refine_ls_R_factor_gt           0.0321
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0500P)^2^+0.8800P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0802
_refine_ls_wR_factor_ref         0.0817
_reflns_number_gt                555
_reflns_number_total             651
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic100591h_si_002_1.cif
_cod_data_source_block           complex_1
_cod_original_sg_symbol_Hall     '-I 4 2 '
_cod_original_sg_symbol_H-M      'I 4/m m m '
_cod_database_code               4316361