Ligand ratio/solvent-influenced syntheses, crystal structures, and magnetic properties of polydentate Schiff base ligand-Dy(iii) compounds with β-diketonate ligands as co-ligands.
Zhang, Sheng; Mo, Wenjiao; Zhang, Zengqi; Gao, Fei; Wang, Lei; Hu, Dengwei; Chen, Sanping; Dalton transactions (Cambridge, England : 2003) 48 (2019) 12466–12481; doi:10.1039/c9dt02618e

data_7700617
_publ_section_title
;
 Ligand ratio/solvent-influenced syntheses, crystal structures, and
 magnetic properties of polydentate Schiff base ligand-Dy(iii) compounds
 with \b-diketonate ligands as co-ligands.
;
_journal_issue                   33
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12466
_journal_page_last               12481
_journal_paper_doi               10.1039/c9dt02618e
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C47 H43 Dy N4 O6'
_chemical_formula_weight         922.35
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-04-24 deposited with the CCDC.    2019-07-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.191(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.8533(7)
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_cell_length_c                   11.8920(4)
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      70.4540
_cell_measurement_theta_min      3.8800
_cell_volume                     4197.0(3)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0742
_diffrn_reflns_av_unetI/netI     0.0684
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            31929
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.235
_diffrn_reflns_theta_max         67.235
_diffrn_reflns_theta_min         3.454
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    9.957
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.25313
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.460
_exptl_crystal_description       block
_exptl_crystal_F_000             1868
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.070
_refine_diff_density_max         1.305
_refine_diff_density_min         -0.653
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     525
_refine_ls_number_reflns         7521
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0743
_refine_ls_R_factor_gt           0.0470
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0432P)^2^+1.9812P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1000
_refine_ls_wR_factor_ref         0.1155
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5441
_reflns_number_total             7521
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt02618e2.cif
_cod_data_source_block           exp_8796
_cod_depositor_comments
'Adding full bibliography for 7700616--7700618.cif.'
_cod_original_cell_volume        4197.0(2)
_cod_database_code               7700617
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.503
_shelx_estimated_absorpt_t_max   0.542
_shelx_res_checksum              83643