The slow magnetic relaxation regulated by ligand conformation of a lanthanide single-ion magnet [Hex4N][Dy(DBM)4]
Sun, Wen-Bin; Yan, Bing; Zhang, Yi-Quan; Wang, Bing-Wu; Wang, Zhe-Ming; Jia, Jun-Hua; Gao, Song; Inorg. Chem. Front. 1 (2014) 503–; doi:10.1039/C4QI00057A

data_4348223
_publ_section_title
;
 The slow magnetic relaxation regulated by ligand conformation of a
 lanthanide single-ion magnet [Hex4N][Dy(DBM)4]
;
_journal_issue                   6
_journal_name_full               'Inorg. Chem. Front.'
_journal_page_first              503
_journal_paper_doi               10.1039/C4QI00057A
_journal_volume                  1
_journal_year                    2014
_chemical_formula_sum            'C84 H92 N O8 Y'
_chemical_formula_weight         1332.50
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        '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                 105.028(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.5033(4)
_cell_length_b                   24.3631(8)
_cell_length_c                   18.6445(4)
_cell_measurement_temperature    293(2)
_cell_volume                     7240.0(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 0.961
_diffrn_measured_fraction_theta_max 0.961
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0429
_diffrn_reflns_av_sigmaI/netI    0.0624
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            28791
_diffrn_reflns_theta_full        68.29
_diffrn_reflns_theta_max         68.29
_diffrn_reflns_theta_min         3.05
_exptl_absorpt_coefficient_mu    1.576
_exptl_absorpt_correction_T_max  0.7866
_exptl_absorpt_correction_T_min  0.7435
_exptl_crystal_density_diffrn    1.222
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2824
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.614
_refine_diff_density_min         -0.775
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     847
_refine_ls_number_reflns         12750
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.1409
_refine_ls_R_factor_gt           0.1042
_refine_ls_shift/su_max          0.054
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0975P)^2^+44.7490P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2486
_refine_ls_wR_factor_ref         0.2743
_reflns_number_gt                8877
_reflns_number_total             12750
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4qi00057a2.cif
_cod_data_source_block           3
_cod_original_cell_volume        7240.1(3)
_cod_database_code               4348223