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_7700618
_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            'C77 H65 Dy2 N4 O10'
_chemical_formula_weight         1531.33
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_space_group_IT_number           205
_space_group_name_Hall           '-P 2ac 2ab 3'
_space_group_name_H-M_alt        'P a -3'
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_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.
;
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_cell_angle_gamma                90
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_av_unetI/netI     0.1157
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -17
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_diffrn_reflns_theta_min         2.800
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    11.254
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.39100
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.388
_exptl_crystal_description       block
_exptl_crystal_F_000             18408
_exptl_crystal_size_max          0.080
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_exptl_crystal_size_min          0.070
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_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
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_refine_ls_restrained_S_all      0.807
_refine_ls_R_factor_all          0.1354
_refine_ls_R_factor_gt           0.0679
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1518P)^2^+29.8048P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1803
_refine_ls_wR_factor_ref         0.2383
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6908
_reflns_number_total             13158
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt02618e2.cif
_cod_data_source_block           exp_8697_sq
_cod_depositor_comments
'Adding full bibliography for 7700616--7700618.cif.'
_cod_original_cell_volume        43953(2)
_cod_database_code               7700618
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.466
_shelx_estimated_absorpt_t_max   0.506
_shelx_res_checksum              99308
_shelx_fab_checksum              79172