Slow magnetic relaxation in radical cation tetrathiafulvalene-based lanthanide(III) dinuclear complexes
Fabrice Pointillart; Boris Le Guennic; Stephane Golhen; Olivier Cador; Lahcene Ouahab; Chem.Commun. 49 (2013) 11632–; doi:10.1039/c3cc47087c

data_7110119
_publ_section_title
;
 Slow magnetic relaxation in radical cation tetrathiafulvalene-based
 lanthanide(III) dinuclear complexes
;
_journal_name_full               Chem.Commun.
_journal_page_first              11632
_journal_paper_doi               10.1039/c3cc47087c
_journal_volume                  49
_journal_year                    2013
_chemical_formula_sum            'C33 H22 Cl2 F18 N2 O12 S10 Yb'
_chemical_formula_weight         1545.07
_chemical_name_systematic
;
 ?
;
_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                104.0650(10)
_cell_angle_beta                 106.1300(10)
_cell_angle_gamma                109.7300(10)
_cell_formula_units_Z            2
_cell_length_a                   12.2410(3)
_cell_length_b                   14.6820(4)
_cell_length_c                   17.4120(4)
_cell_measurement_reflns_used    9918
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      24.51
_cell_measurement_theta_min      2.39
_cell_volume                     2626.04(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.947
_diffrn_measured_fraction_theta_max 0.947
_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  0.0390
_diffrn_reflns_av_sigmaI/netI    0.0476
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            40683
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         1.31
_exptl_absorpt_coefficient_mu    2.401
_exptl_absorpt_correction_T_max  0.681
_exptl_absorpt_correction_T_min  0.601
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.954
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1512
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.978
_refine_diff_density_min         -2.740
_refine_diff_density_rms         0.305
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     717
_refine_ls_number_reflns         11441
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.1066
_refine_ls_R_factor_gt           0.0765
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1317P)^2^+22.2163P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2073
_refine_ls_wR_factor_ref         0.2446
_reflns_number_gt                8620
_reflns_number_total             11441
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc47087c.txt
_cod_data_source_block           import-fpr519-2
_cod_original_cell_volume        2626.03(11)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7110119