A series of dinuclear Dy(iii) complexes bridged by 2-methyl-8-hydroxylquinoline: replacement on the periphery coordinated β-diketonate terminal leads to different single-molecule magnetic properties.
Zhang, Wan-Ying; Tian, Yong-Mei; Li, Hong-Feng; Chen, Peng; Sun, Wen-Bin; Zhang, Yi-Quan; Yan, Peng-Fei; Dalton transactions (Cambridge, England : 2003) 45 (2016) 3863–3873; doi:10.1039/c5dt04449a

data_7038020
_publ_section_title
;
 A series of dinuclear Dy(iii) complexes bridged by
 2-methyl-8-hydroxylquinoline: replacement on the periphery coordinated
 \b-diketonate terminal leads to different single-molecule magnetic
 properties.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3863
_journal_page_last               3873
_journal_paper_doi               10.1039/c5dt04449a
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C42 H52 Dy2 N2 O12'
_chemical_formula_weight         1101.85
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-12-16 deposited with the CCDC.
2016-01-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.967(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.6845(13)
_cell_length_b                   10.3099(4)
_cell_length_c                   16.8554(7)
_cell_measurement_reflns_used    6922
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.5810
_cell_measurement_theta_min      2.9690
_cell_volume                     4287.1(3)
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.845
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0445
_diffrn_reflns_av_unetI/netI     0.0419
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.845
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            15912
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.845
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         29.647
_diffrn_reflns_theta_min         2.975
_exptl_absorpt_coefficient_mu    3.522
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.707
_exptl_crystal_description       block
_exptl_crystal_F_000             2184
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.929
_refine_diff_density_min         -1.734
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         5129
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.115
_refine_ls_R_factor_all          0.0430
_refine_ls_R_factor_gt           0.0285
_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^)+(0.0183P)^2^+4.3278P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0532
_refine_ls_wR_factor_ref         0.0629
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4153
_reflns_number_total             5129
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt04449a2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7038020--7038023.cif.'
_cod_database_code               7038020
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              35184