End-to-End Azide-Bridged Manganese(III) Chain Compounds: Field-Induced Magnetic Phase Transitions and Variation of TC to 38 K Depending on the Side Groups of the Schiff Bases
Jung Hee Yoon; Woo Ram Lee; Dae Won Ryu; Jin Wuk Lee; Sung Won Yoon; Byoung Jin Suh; Hyoung Chan Kim; Chang Seop Hong; Inorganic Chemistry 50 (2011) 10777–10785; doi:10.1021/ic2013232

data_4326630
_publ_section_title
;
 End-to-End Azide-Bridged Manganese(III) Chain Compounds: Field-Induced
 Magnetic Phase Transitions and Variation of TC to 38 K Depending on the
 Side Groups of the Schiff Bases
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10777
_journal_page_last               10785
_journal_paper_doi               10.1021/ic2013232
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C38 H36 Br4 Mn2 N10 O4'
_chemical_formula_weight         1126.29
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.999(4)
_cell_angle_beta                 112.472(3)
_cell_angle_gamma                96.399(3)
_cell_formula_units_Z            2
_cell_length_a                   11.8425(10)
_cell_length_b                   12.7124(10)
_cell_length_c                   15.4367(16)
_cell_measurement_reflns_used    2995
_cell_measurement_temperature    100
_cell_measurement_theta_max      27.943
_cell_measurement_theta_min      2.273
_cell_volume                     2091.9(3)
_computing_cell_refinement       'Bruker SMART APEXll'
_computing_data_collection       'Bruker SMART APEXll'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    WingX
_computing_publication_material  WingX
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SHELXTL
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.946
_diffrn_measured_fraction_theta_max 0.946
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1799
_diffrn_reflns_av_sigmaI/netI    0.2425
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            33430
_diffrn_reflns_theta_full        28.43
_diffrn_reflns_theta_max         28.43
_diffrn_reflns_theta_min         1.46
_exptl_absorpt_coefficient_mu    4.477
_exptl_absorpt_correction_T_max  0.9158
_exptl_absorpt_correction_T_min  0.5063
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.788
_exptl_crystal_description       plate
_exptl_crystal_F_000             1112
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.212
_refine_diff_density_min         -1.239
_refine_diff_density_rms         0.177
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     523
_refine_ls_number_reflns         9962
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.994
_refine_ls_R_factor_all          0.2316
_refine_ls_R_factor_gt           0.0764
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0711P)^2^+9.0882P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1558
_refine_ls_wR_factor_ref         0.2148
_reflns_number_gt                3973
_reflns_number_total             9962
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2013232_si_002.cif
_cod_data_source_block           p-1
_cod_database_code               4326630