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_7700616
_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           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   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                 96.313(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   28.0727(8)
_cell_length_b                   14.7955(4)
_cell_length_c                   20.9816(5)
_cell_measurement_reflns_used    6433
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      71.2220
_cell_measurement_theta_min      3.9040
_cell_volume                     8661.9(4)
_computing_cell_refinement       'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0414
_diffrn_reflns_av_unetI/netI     0.0556
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            18939
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.244
_diffrn_reflns_theta_max         67.244
_diffrn_reflns_theta_min         3.168
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    9.649
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.26304
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.415
_exptl_crystal_description       block
_exptl_crystal_F_000             3736
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.070
_refine_diff_density_max         1.030
_refine_diff_density_min         -1.031
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.753
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     525
_refine_ls_number_reflns         7754
_refine_ls_number_restraints     1872
_refine_ls_restrained_S_all      0.696
_refine_ls_R_factor_all          0.0576
_refine_ls_R_factor_gt           0.0407
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1096P)^2^+19.6200P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1104
_refine_ls_wR_factor_ref         0.1300
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6054
_reflns_number_total             7754
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt02618e2.cif
_cod_data_source_block           exp_8797_sq
_cod_depositor_comments
'Adding full bibliography for 7700616--7700618.cif.'
_cod_database_code               7700616
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.512
_shelx_estimated_absorpt_t_max   0.552
_shelx_res_checksum              83345
_shelx_fab_checksum              51477