Improved slow magnetic relaxation in optically pure helicene-based Dy<sup>III</sup> single molecule magnets.
Ou-Yang, J-K; Saleh, N.; Fernandez Garcia, G.; Norel, L.; Pointillart, F.; Guizouarn, T.; Cador, O.; Totti, F.; Ouahab, L.; Crassous, J.; Le Guennic, B.; Chemical communications (Cambridge, England) 52 (2016) 14474–14477; doi:10.1039/c6cc08638a

data_7125305
_publ_section_title
;
 Improved slow magnetic relaxation in optically pure helicene-based
 Dy<sup>III</sup> single molecule magnets.
;
_journal_issue                   100
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              14474
_journal_page_last               14477
_journal_paper_doi               10.1039/c6cc08638a
_journal_volume                  52
_journal_year                    2016
_chemical_formula_sum            'C48 H28 Dy F18 N2 O6'
_chemical_formula_weight         1233.22
_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
_audit_update_record
;
2016-10-26 deposited with the CCDC.
2016-11-23 downloaded from the CCDC.
;
_cell_angle_alpha                67.984(2)
_cell_angle_beta                 72.454(2)
_cell_angle_gamma                84.724(2)
_cell_formula_units_Z            2
_cell_length_a                   13.2160(5)
_cell_length_b                   13.9132(6)
_cell_length_c                   14.5959(6)
_cell_measurement_reflns_used    9927
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.43
_cell_measurement_theta_min      2.23
_cell_volume                     2371.71(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'APEXII, Bruker-AXS'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_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  0.0258
_diffrn_reflns_av_sigmaI/netI    0.0251
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            38886
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         1.57
_exptl_absorpt_coefficient_mu    1.698
_exptl_absorpt_correction_T_max  0.7526
_exptl_absorpt_correction_T_min  0.5892
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.727
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1212
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.44
_exptl_crystal_size_min          0.37
_refine_diff_density_max         1.376
_refine_diff_density_min         -1.362
_refine_diff_density_rms         0.159
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     701
_refine_ls_number_reflns         10755
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.102
_refine_ls_R_factor_all          0.0430
_refine_ls_R_factor_gt           0.0369
_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^)+(0.0644P)^2^+3.7782P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1012
_refine_ls_wR_factor_ref         0.1116
_reflns_number_gt                9745
_reflns_number_total             10755
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6cc08638a2.cif
_cod_data_source_block           import-fpr772
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7125305