A family of tetranuclear quinolinolate Dy(iii)-based single-molecule magnets: effects of periphery ligand replacement on their magnetic relaxation.
Zhang, Da; Tian, Yong-Mei; Sun, Wen-Bin; Li, Hong-Feng; Chen, Peng; Zhang, Yi-Quan; Yan, Peng-Fei; Dalton transactions (Cambridge, England : 2003) 45 (2016) 2674–2680; doi:10.1039/c5dt04362j

data_7037713
_publ_section_title
;
 A family of tetranuclear quinolinolate Dy(iii)-based single-molecule
 magnets: effects of periphery ligand replacement on their magnetic
 relaxation.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2674
_journal_page_last               2680
_journal_paper_doi               10.1039/c5dt04362j
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C119 H90 Cl10 Dy4 N6 O16'
_chemical_formula_weight         2864.47
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_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
_audit_update_record
;
2015-05-12 deposited with the CCDC.
2015-12-21 downloaded from the CCDC.
;
_cell_angle_alpha                110.993(4)
_cell_angle_beta                 104.394(3)
_cell_angle_gamma                106.271(3)
_cell_formula_units_Z            1
_cell_length_a                   13.9004(5)
_cell_length_b                   15.1696(6)
_cell_length_c                   16.5072(6)
_cell_measurement_temperature    293(2)
_cell_volume                     2873.4(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.851
_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  0.0448
_diffrn_reflns_av_sigmaI/netI    0.0682
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            23048
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.91
_diffrn_reflns_theta_min         3.14
_exptl_absorpt_coefficient_mu    2.869
_exptl_absorpt_correction_T_max  0.6567
_exptl_absorpt_correction_T_min  0.5976
_exptl_crystal_density_diffrn    1.655
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1408
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.394
_refine_diff_density_min         -0.847
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     740
_refine_ls_number_reflns         12905
_refine_ls_number_restraints     64
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0699
_refine_ls_R_factor_gt           0.0427
_refine_ls_shift/su_max          0.022
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0369P)^2^+2.6623P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0917
_refine_ls_wR_factor_ref         0.1084
_reflns_number_gt                9351
_reflns_number_total             12905
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt04362j2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7037712--7037714.cif.'
_cod_original_cell_volume        2873.37(19)
_cod_database_code               7037713