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_4333752
_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         'C91 H67 Dy3 Mn4 N10 O27, 5(C2 H3 N)'
_chemical_formula_sum            'C101 H82 Dy3 Mn4 N15 O27'
_chemical_formula_weight         2645.08
_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_date             '24 October 2012'
_audit_creation_method           'SHELXL-97, manual editing plus enCIFer'
_cell_angle_alpha                90.00
_cell_angle_beta                 102.628(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   29.146(5)
_cell_length_b                   21.095(3)
_cell_length_c                   32.414(5)
_cell_measurement_reflns_used    9473
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.04
_cell_measurement_theta_min      2.20
_cell_volume                     19447(5)
_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 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0744
_diffrn_reflns_av_sigmaI/netI    0.0552
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            337390
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         3.64
_exptl_absorpt_coefficient_mu    2.866
_exptl_absorpt_correction_T_max  0.8469
_exptl_absorpt_correction_T_min  0.6723
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS (Sheldrick, 1997)
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.807
_exptl_crystal_description       plate
_exptl_crystal_F_000             10456
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_platon_squeeze_details
;
;
_refine_diff_density_max         2.115
_refine_diff_density_min         -1.101
_refine_diff_density_rms         0.163
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     2458
_refine_ls_number_reflns         39365
_refine_ls_number_restraints     96
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0776
_refine_ls_R_factor_gt           0.0518
_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^)+(0.0881P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1381
_refine_ls_wR_factor_ref         0.1497
_reflns_number_gt                27476
_reflns_number_total             39365
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic302505p_si_005.cif
_cod_data_source_block           ts0112(DA2177-Dy)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4333752