μ1,1-Azide-Bridged Ferromagnetic MnIIIDimer with Slow Relaxation of Magnetization
Ge, Chun-Hua; Cui, Ai-Li; Ni, Zhong-Hai; Jiang, Yun-Bo; Zhang, Li-Fang; Ribas, Joan; Kou, Hui-Zhong; Inorganic Chemistry 45 (2006) 4883–4885; doi:10.1021/ic060479h

data_4332530
_publ_section_title
;
 \m1,1-Azide-Bridged Ferromagnetic MnIIIDimer with Slow Relaxation of
 Magnetization
;
_journal_issue                   13
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4883
_journal_page_last               4885
_journal_paper_doi               10.1021/ic060479h
_journal_volume                  45
_journal_year                    2006
_chemical_formula_moiety         'C14 H13 Mn N6 O3'
_chemical_formula_sum            'C28 H26 Mn2 N12 O6'
_chemical_formula_weight         736.46
_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                95.50(3)
_cell_angle_beta                 105.46(3)
_cell_angle_gamma                93.93(3)
_cell_formula_units_Z            1
_cell_length_a                   7.8721(16)
_cell_length_b                   10.017(2)
_cell_length_c                   10.443(2)
_cell_measurement_temperature    293(2)
_cell_volume                     786.2(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Rigaku IP'
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0354
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            2748
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.06
_exptl_absorpt_coefficient_mu    0.866
_exptl_crystal_colour            'red brown'
_exptl_crystal_density_diffrn    1.555
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             376
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.730
_refine_diff_density_min         -0.515
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     222
_refine_ls_number_reflns         2748
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0543
_refine_ls_R_factor_gt           0.0463
_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^)+(0.0715P)^2^+0.4040P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1246
_refine_ls_wR_factor_ref         0.1294
_reflns_number_gt                2340
_reflns_number_total             2748
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic060479hsup1.cif
_cod_data_source_block           1
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               4332530