Three dinuclear lanthanide(iii) compounds of a polydentate Schiff base ligand: Slow magnetic relaxation behaviour of the DyIII derivative
Zhao, Lang; Wu, Jianfeng; Ke, Hongshan; Tang, Jinkui; CrystEngComm 15 (2013) 5301–; doi:10.1039/c3ce40153g

data_7209861
_publ_section_title
;
 Three dinuclear lanthanide(iii) compounds of a polydentate Schiff base
 ligand: Slow magnetic relaxation behaviour of the DyIII derivative
;
_journal_issue                   26
_journal_name_full               CrystEngComm
_journal_page_first              5301
_journal_paper_doi               10.1039/c3ce40153g
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C60 H66 Gd2 N8 O12'
_chemical_formula_weight         1405.71
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_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                105.5560(10)
_cell_angle_beta                 102.6370(10)
_cell_angle_gamma                101.9690(10)
_cell_formula_units_Z            1
_cell_length_a                   10.5471(5)
_cell_length_b                   11.3694(6)
_cell_length_c                   12.8451(7)
_cell_measurement_temperature    191(2)
_cell_volume                     1388.74(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      191(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_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  0.0208
_diffrn_reflns_av_sigmaI/netI    0.0418
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            7716
_diffrn_reflns_theta_full        26.15
_diffrn_reflns_theta_max         26.15
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    2.439
_exptl_absorpt_correction_T_max  0.7111
_exptl_absorpt_correction_T_min  0.6411
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.681
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             706
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.744
_refine_diff_density_min         -0.832
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     502
_refine_ls_number_reflns         5416
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0336
_refine_ls_R_factor_gt           0.0288
_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^)+(0.0380P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0667
_refine_ls_wR_factor_ref         0.0697
_reflns_number_gt                4855
_reflns_number_total             5416
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40153g.txt
_cod_data_source_block           1a
_cod_original_cell_volume        1388.74(12)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7209861