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_4326631
_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            'C19 H18 Br2 Mn N5 O2'
_chemical_formula_weight         563.14
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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            4
_cell_length_a                   12.6256(15)
_cell_length_b                   12.8577(16)
_cell_length_c                   12.4425(15)
_cell_measurement_reflns_used    1924
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      19.9605
_cell_measurement_theta_min      2.7815
_cell_volume                     2019.9(4)
_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    'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi 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  0.0908
_diffrn_reflns_av_sigmaI/netI    0.2335
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15490
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.64
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    4.636
_exptl_absorpt_correction_T_max  0.9422
_exptl_absorpt_correction_T_min  0.5411
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.852
_exptl_crystal_description       plate
_exptl_crystal_F_000             1112
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.630
_refine_diff_density_min         -0.662
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.885
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     264
_refine_ls_number_reflns         4943
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.885
_refine_ls_R_factor_all          0.2027
_refine_ls_R_factor_gt           0.0533
_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^)+(0.0263P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0681
_refine_ls_wR_factor_ref         0.0973
_reflns_number_gt                1776
_reflns_number_total             4943
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2013232_si_004.cif
_cod_data_source_block           mo
_cod_database_code               4326631