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_7063829
_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         '(C30 H50 O13 Tb2), 0.5(H2 O)'
_chemical_formula_sum            'C30 H51 O13.5 Tb2'
_chemical_formula_weight         945.57
_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'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2025-02-27 deposited with the CCDC.	2025-05-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.3080(10)
_cell_angle_gamma                90
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_cell_length_c                   60.102(3)
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.48
_cell_measurement_theta_min      2.73
_cell_volume                     6851.3(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
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_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_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  0.0399
_diffrn_reflns_av_unetI/netI     0.0256
_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         27.475
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_exptl_absorpt_process_details   'SADABS 2014/5'
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_exptl_transmission_factor_min   0.677
_refine_diff_density_max         1.751
_refine_diff_density_min         -1.615
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_refine_ls_extinction_coef       0.00028(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     464
_refine_ls_number_reflns         7861
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.0375
_refine_ls_R_factor_gt           0.0362
_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^)+(0.0900P)^2^+55.2186P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1370
_refine_ls_wR_factor_ref         0.1383
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7637
_reflns_number_total             7861
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5nj02067k2.cif
_cod_data_source_block           2d
_cod_depositor_comments
'Adding full bibliography for 7063825--7063829.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7063829
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.658
_shelx_estimated_absorpt_t_max   0.819
_shelx_res_checksum              59168