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_7209863
_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            'C68 H78 Dy2 N12 O12'
_chemical_formula_weight         1580.42
_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                 95.7800(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.2399(5)
_cell_length_b                   18.9948(8)
_cell_length_c                   14.4502(6)
_cell_measurement_temperature    191(2)
_cell_volume                     3342.5(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      191(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0263
_diffrn_reflns_av_sigmaI/netI    0.0314
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            18462
_diffrn_reflns_theta_full        26.13
_diffrn_reflns_theta_max         26.13
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    2.289
_exptl_absorpt_correction_T_max  0.6574
_exptl_absorpt_correction_T_min  0.5279
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.570
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1596
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.454
_refine_diff_density_min         -0.688
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     429
_refine_ls_number_reflns         6664
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.107
_refine_ls_R_factor_all          0.0294
_refine_ls_R_factor_gt           0.0233
_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^)+(0.0309P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0594
_refine_ls_wR_factor_ref         0.0623
_reflns_number_gt                5713
_reflns_number_total             6664
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40153g.txt
_cod_data_source_block           1c
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7209863