Magnetization Dynamics Changes of Dysprosium(III) Single-Ion Magnets Associated with Guest Molecules.
Zhang, Sheng; Ke, Hongshan; Sun, Lin; Li, Xin; Shi, Quan; Xie, Gang; Wei, Qing; Yang, Desuo; Wang, Wenyuan; Chen, Sanping; Inorganic chemistry 55 (2016) 3865–3871; doi:10.1021/acs.inorgchem.5b02971

data_4347290
_publ_section_title
;
 Magnetization Dynamics Changes of Dysprosium(III) Single-Ion Magnets
 Associated with Guest Molecules.
;
_journal_issue                   8
_journal_name_full               'Inorganic chemistry'
_journal_page_first              3865
_journal_page_last               3871
_journal_paper_doi               10.1021/acs.inorgchem.5b02971
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'C45 H32 Dy F9 N2 O6'
_chemical_formula_weight         1030.23
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                85.084(3)
_cell_angle_beta                 75.023(3)
_cell_angle_gamma                65.326(3)
_cell_formula_units_Z            2
_cell_length_a                   10.5725(17)
_cell_length_b                   12.565(2)
_cell_length_c                   18.395(3)
_cell_measurement_reflns_used    3524
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.10
_cell_measurement_theta_min      1.96
_cell_volume                     2144.4(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX SMART II'
_diffrn_measurement_method       \w
_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  0.0477
_diffrn_reflns_av_sigmaI/netI    0.1183
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            10718
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.15
_exptl_absorpt_coefficient_mu    1.831
_exptl_absorpt_correction_T_max  0.9019
_exptl_absorpt_correction_T_min  0.7973
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.596
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1022
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.440
_refine_diff_density_min         -1.950
_refine_diff_density_rms         0.224
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.284
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     571
_refine_ls_number_reflns         7461
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.284
_refine_ls_R_factor_all          0.1261
_refine_ls_R_factor_gt           0.0992
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2218
_refine_ls_wR_factor_ref         0.2521
_reflns_number_gt                5878
_reflns_number_total             7461
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b02971_si_002.cif
_cod_data_source_block           xb8431_0m
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               4347290