Four tetra-nuclear lanthanide complexes based on 8-hydroxyquinolin derivatives: magnetic refrigeration and single-molecule magnet behaviour
Fang, Ming; Shao, Li-Jun; Shi, Tian-Xing; Chen, Ying-Ying; Yu, Hong; Li, Peng-Fei; Wang, Wen-Min; Zhao, Bin; New Journal of Chemistry 42 (2018) 11847–; doi:10.1039/C8NJ02161A

data_7057494
_publ_section_title
;
 Four tetra-nuclear lanthanide complexes based on 8-hydroxyquinolin
 derivatives: magnetic refrigeration and single-molecule magnet behaviour
;
_journal_issue                   14
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              11847
_journal_paper_doi               10.1039/C8NJ02161A
_journal_volume                  42
_journal_year                    2018
_chemical_formula_sum            'C134 H138 Gd4 N18 O16'
_chemical_formula_weight         2885.62
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_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
_audit_update_record
;
2018-03-17 deposited with the CCDC.
2018-06-05 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 114.6210(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   19.1634(7)
_cell_length_b                   17.2152(6)
_cell_length_c                   22.4329(8)
_cell_measurement_reflns_used    7817
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.351
_cell_measurement_theta_min      2.746
_cell_volume                     6727.8(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku Saturn724 CCD'
_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  0.0540
_diffrn_reflns_av_sigmaI/netI    0.0316
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            76780
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.19
_exptl_absorpt_coefficient_mu    2.013
_exptl_absorpt_correction_T_max  0.8090
_exptl_absorpt_correction_T_min  0.5393
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.423
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2904
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.11
_platon_squeeze_details
;
;
_refine_diff_density_max         1.719
_refine_diff_density_min         -0.793
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     824
_refine_ls_number_reflns         11854
_refine_ls_number_restraints     132
_refine_ls_restrained_S_all      1.125
_refine_ls_R_factor_all          0.0504
_refine_ls_R_factor_gt           0.0327
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0293P)^2^+25.4861P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0740
_refine_ls_wR_factor_ref         0.0844
_reflns_number_gt                9621
_reflns_number_total             11854
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c8nj02161a2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7057494--7057497.cif.'
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7057494