Observation of two types of magnetization relaxation in a weakly correlated antiferromagnetic chain of Mn(III)(2) single-molecule magnets.
Miyasaka, Hitoshi; Saitoh, Ayumi; Nakano, Motohiro; Dalton transactions (Cambridge, England : 2003) 41 (2012) 13691–13696; doi:10.1039/c2dt31444d

data_7020404
_publ_section_title
;
 Observation of two types of magnetization relaxation in a weakly
 correlated antiferromagnetic chain of Mn(III)(2) single-molecule magnets.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13691
_journal_page_last               13696
_journal_paper_doi               10.1039/c2dt31444d
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C115.50 H116 B2 Fe Mn2 N10 O9.50'
_chemical_formula_sum            'C115.5 H116 B2 Fe Mn2 N10 O9.5'
_chemical_formula_weight         1983.59
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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
_cell_angle_alpha                86.701(17)
_cell_angle_beta                 75.468(15)
_cell_angle_gamma                61.703(9)
_cell_formula_units_Z            2
_cell_length_a                   14.917(5)
_cell_length_b                   15.623(6)
_cell_length_c                   24.728(10)
_cell_measurement_reflns_used    15095
_cell_measurement_temperature    93
_cell_measurement_theta_max      31.00
_cell_measurement_theta_min      4.49
_cell_volume                     4899(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'DIRDIF99-PATTY (Gould, et al., 1999)'
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0312
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            33181
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.467
_exptl_absorpt_correction_T_max  0.995
_exptl_absorpt_correction_T_min  0.889
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            darkbrawn
_exptl_crystal_density_diffrn    1.345
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2082.00
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.010
_refine_diff_density_max         2.380
_refine_diff_density_min         -1.450
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.117
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     1306
_refine_ls_number_reflns         16849
_refine_ls_number_restraints     398
_refine_ls_R_factor_gt           0.0906
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1193P)^2^+16.6413P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2497
_reflns_number_gt                12852
_reflns_number_total             16850
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c2dt31444d.txt
_cod_data_source_block           '_Mn_H_BPh4-Fe_pao_phen'
_cod_original_cell_volume        4899(4)
_cod_original_formula_sum        'C115.50 H116 B2 Fe Mn2 N10 O9.50'
_cod_database_code               7020404