Slow magnetic relaxation in Ni-Ln (Ln = Ce, Gd, Dy) dinuclear complexes.
Vráblová, Anna; Tomás, Milagros; Falvello, Larry R.; Dlháň, Ľubor; Titiš, Ján; Černák, Juraj; Boča, Roman; Dalton transactions (Cambridge, England : 2003) 48 (2019) 13943–13952; doi:10.1039/c9dt02122a

data_7700910
_publ_section_title
;
 Slow magnetic relaxation in Ni-Ln (Ln = Ce, Gd, Dy) dinuclear complexes.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13943
_journal_page_last               13952
_journal_paper_doi               10.1039/c9dt02122a
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C18 H20 Cl3 Dy N2 Ni O5'
_chemical_formula_sum            'C18 H20 Cl3 Dy N2 Ni O5'
_chemical_formula_weight         671.92
_chemical_name_systematic
{(3-methoxy-2-oxidobenzylidene)ethylenediamine}-nickel(II)-trichlorido-aqua-dysprosium(III)
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2019-05-16 deposited with the CCDC.    2019-08-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.833(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.00940(10)
_cell_length_b                   14.3916(3)
_cell_length_c                   20.9556(5)
_cell_measurement_reflns_used    8257
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.8870
_cell_measurement_theta_min      3.0940
_cell_volume                     2112.85(7)
_computing_cell_refinement       'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.0655
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.920
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0543
_diffrn_reflns_av_unetI/netI     0.0490
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.920
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            26349
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.920
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.302
_diffrn_reflns_theta_min         2.831
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    4.813
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.87706
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.44a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour
;
red/colorless dichroic
;
_exptl_crystal_density_diffrn    2.112
_exptl_crystal_description       rombic
_exptl_crystal_F_000             1308
_exptl_crystal_preparation       'Magnetic properties'
_refine_diff_density_max         0.677
_refine_diff_density_min         -0.821
_refine_diff_density_rms         0.188
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     277
_refine_ls_number_reflns         5820
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0577
_refine_ls_R_factor_gt           0.0338
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0242P)^2^+0.1475P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0587
_refine_ls_wR_factor_ref         0.0671
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4431
_reflns_number_total             5820
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt02122a2.cif
_cod_data_source_block           Ni-Dy_complex_3
_cod_depositor_comments
'Adding full bibliography for 7700908--7700910.cif.'
_cod_database_code               7700910
_shelx_shelxl_version_number     2018/1
_shelx_res_checksum              57290