Slow Magnetic Relaxation in Novel Dy4 and Dy8 Compounds
Pei-Pei Yang; Xi-Feng Gao; Hai-Bin Song; Sai Zhang; Xue-Lan Mei; Li-Cun Li; Dai-Zheng Liao; Inorganic Chemistry 50 (2011) 720–722; doi:10.1021/ic1021643

data_4324374
_publ_section_title
;
 Slow Magnetic Relaxation in Novel Dy4 and Dy8 Compounds
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              720
_journal_page_last               722
_journal_paper_doi               10.1021/ic1021643
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C42.5 H42 Dy2 N3 O13'
_chemical_formula_weight         1127.79
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 93.51(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.768(2)
_cell_length_b                   25.474(5)
_cell_length_c                   14.624(3)
_cell_measurement_reflns_used    11155
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.883
_cell_measurement_theta_min      2.122
_cell_volume                     4375.7(15)
_computing_cell_refinement       crystalclear
_computing_data_collection       'crystalclear(Rigaku/MSC Inc., 2005)'
_computing_data_reduction        crystalclear
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'rigaku saturn CCD area detector'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_monochromator  multilayer
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0669
_diffrn_reflns_av_sigmaI/netI    0.0686
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            28202
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.12
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.455
_exptl_absorpt_correction_T_max  0.8742
_exptl_absorpt_correction_T_min  0.7696
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   crystalclear
_exptl_crystal_colour            YELLOW
_exptl_crystal_density_diffrn    1.712
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             2216
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         3.189
_refine_diff_density_min         -2.975
_refine_diff_density_rms         0.196
_refine_ls_extinction_coef       0.00132(18)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     613
_refine_ls_number_reflns         7642
_refine_ls_number_restraints     110
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0888
_refine_ls_R_factor_gt           0.0697
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0965P)^2^+10.9410P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1752
_refine_ls_wR_factor_ref         0.1918
_reflns_number_gt                5883
_reflns_number_total             7642
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1021643_si_002_1.cif
_cod_data_source_block           1
_cod_original_cell_volume        4375.6(15)
_cod_original_formula_sum        'C42.50 H42 Dy2 N3 O13'
_cod_database_code               4324374