Two structural types of lanthanide MOFs based on long-chain flexible sebacic acid: synthesis, luminescence, sensing, and magnetic properties
Jia, Ying-Hao; Liu, Xing; Zhou, Jian; Qin, Qi-Pin; Du, Jia-Yin; New Journal of Chemistry 49 (2025) 11227–11240; doi:10.1039/D5NJ02067K

data_7063828
_publ_section_title
;
 Two structural types of lanthanide MOFs based on long-chain flexible
 sebacic acid: synthesis, luminescence, sensing, and magnetic properties
;
_journal_issue                   26
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              11227
_journal_page_last               11240
_journal_paper_doi               10.1039/D5NJ02067K
_journal_volume                  49
_journal_year                    2025
_chemical_formula_moiety         'C15 H28 Dy O8'
_chemical_formula_sum            'C15 H28 Dy O8'
_chemical_formula_weight         498.87
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-02-10 deposited with the CCDC.	2025-05-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_length_c                   8.9584(4)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.41
_cell_measurement_theta_min      2.59
_cell_volume                     1941.14(16)
_computing_cell_refinement       'Bruker SAINT'
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_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1155
_diffrn_reflns_av_unetI/netI     0.0561
_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_max         27.508
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_exptl_crystal_description       block
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_exptl_crystal_size_min          0.023
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_refine_diff_density_max         1.198
_refine_diff_density_min         -0.911
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_refine_ls_extinction_coef       0.0026(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     266
_refine_ls_number_reflns         4454
_refine_ls_number_restraints     105
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0463
_refine_ls_R_factor_gt           0.0300
_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^)+(0.0120P)^2^+1.7870P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0666
_refine_ls_wR_factor_ref         0.0741
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3551
_reflns_number_total             4454
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5nj02067k2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7063825--7063829.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7063828
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.714
_shelx_estimated_absorpt_t_max   0.916
_shelx_res_checksum              77187