Two Novel Cyanide-Bridged Bimetallic Magnetic Chains Derived from Manganese(III) Schiff Bases and Hexacyanochromate(III) Building Blocks
Chun Yang; Qing-Lun Wang; Jing Qi; Yue Ma; Shi-Ping Yan; Guang-Ming Yang; Peng Cheng; Dai-Zheng Liao; Inorganic Chemistry 50 (2011) 4006–4015; doi:10.1021/ic102495t

data_4324951
_publ_section_title
;
 Two Novel Cyanide-Bridged Bimetallic Magnetic Chains Derived from
 Manganese(III) Schiff Bases and Hexacyanochromate(III) Building Blocks
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4006
_journal_page_last               4015
_journal_paper_doi               10.1021/ic102495t
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C60 H56 Cr Mn3 N14 O8'
_chemical_formula_weight         1318.01
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                76.91(3)
_cell_angle_beta                 80.10(3)
_cell_angle_gamma                66.84(3)
_cell_formula_units_Z            2
_cell_length_a                   14.063(3)
_cell_length_b                   15.106(3)
_cell_length_c                   15.981(3)
_cell_measurement_reflns_used    8316
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.487
_cell_measurement_theta_min      1.805
_cell_volume                     3027.2(13)
_computing_cell_refinement       crystalclear
_computing_data_collection       'crystalclear(Rigaku/MSC Inc., 2005)'
_computing_data_reduction        crystalclear
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'rigaku saturn CCD area detector'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0461
_diffrn_reflns_av_sigmaI/netI    0.0738
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            22372
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.81
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.852
_exptl_absorpt_correction_T_max  0.9350
_exptl_absorpt_correction_T_min  0.8480
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   crystalclear
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.446
_exptl_crystal_description       block
_exptl_crystal_F_000             1354
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.685
_refine_diff_density_min         -0.986
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     799
_refine_ls_number_reflns         10619
_refine_ls_number_restraints     49
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0807
_refine_ls_R_factor_gt           0.0622
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0831P)^2^+2.2817P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1574
_refine_ls_wR_factor_ref         0.1720
_reflns_number_gt                8214
_reflns_number_total             10619
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic102495t_si_002_1.cif
_cod_data_source_block           1
_cod_original_cell_volume        3027.2(10)
_cod_database_code               4324951