Slow Magnetization Relaxation in Unprecedented MnIII4DyIII3 and MnIII4DyIII5 Clusters from the Use of N-Salicylidene-o-aminophenol
Dimitris I. Alexandropoulos; Tu N. Nguyen; Luís Cunha-Silva; Theodoros F. Zafiropoulos; Albert Escuer; George Christou; Theocharis C. Stamatatos; Inorganic Chemistry 52 (2013) 1179–1181; doi:10.1021/ic302505p

data_4333751
_publ_section_title
;
 Slow Magnetization Relaxation in Unprecedented MnIII4DyIII3 and
 MnIII4DyIII5 Clusters from the Use of N-Salicylidene-o-aminophenol
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1179
_journal_page_last               1181
_journal_paper_doi               10.1021/ic302505p
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety
'C6 H16 N, C104 H84 Dy5 Mn4 N12 O38, 10(C2 H3 N)'
_chemical_formula_sum            'C130 H130 Dy5 Mn4 N23 O38'
_chemical_formula_weight         3654.83
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             '23 October 2012'
_audit_creation_method           'SHELXL-97, manual editing plus enCIFer'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.8064(11)
_cell_length_b                   23.8797(13)
_cell_length_c                   26.3457(14)
_cell_measurement_reflns_used    6328
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      24.98
_cell_measurement_theta_min      2.45
_cell_volume                     13719.0(13)
_computing_cell_refinement       'APEX2 '
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT+ (Bruker, 1997-2005)'
_computing_molecular_graphics    'SHELXTL '
_computing_publication_material  'SHELXTL '
_computing_structure_refinement  'SHELXTL '
_computing_structure_solution    'SHELXTL (Bruker 2001)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker X8 Kappa CCD APEX II'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0633
_diffrn_reflns_av_sigmaI/netI    0.0562
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            77207
_diffrn_reflns_theta_full        25.14
_diffrn_reflns_theta_max         25.14
_diffrn_reflns_theta_min         3.65
_exptl_absorpt_coefficient_mu    3.130
_exptl_absorpt_correction_T_max  0.8344
_exptl_absorpt_correction_T_min  0.6027
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS (Sheldrick, 1997)
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.770
_exptl_crystal_description       prism
_exptl_crystal_F_000             7220
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_platon_squeeze_details
;
;
_refine_diff_density_max         0.934
_refine_diff_density_min         -0.537
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.943
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     735
_refine_ls_number_reflns         12102
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.943
_refine_ls_R_factor_all          0.0611
_refine_ls_R_factor_gt           0.0364
_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^)+(0.0520P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0848
_refine_ls_wR_factor_ref         0.0910
_reflns_number_gt                8341
_reflns_number_total             12102
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic302505p_si_003.cif
_cod_data_source_block           ts0711(DA1953)
_cod_database_code               4333751