Four isostructural lanthanide metal–organic frameworks: luminescence properties and fluorescence sensing for Fe3+ and Cr2O72− ions
Zhao, Li-Juan; Li, Bin; Yong, Guo-Ping; CrystEngComm 25 (2023) 2813–2823; doi:10.1039/D3CE00142C

data_7246585
_publ_section_title
;
 Four isostructural lanthanide metal--organic frameworks: luminescence
 properties and fluorescence sensing for Fe3+ and Cr2O72&#x2212; ions
;
_journal_issue                   18
_journal_name_full               CrystEngComm
_journal_page_first              2813
_journal_page_last               2823
_journal_paper_doi               10.1039/D3CE00142C
_journal_volume                  25
_journal_year                    2023
_chemical_formula_sum            'C85 H79 Eu2 N9 O20'
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_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2023-02-06 deposited with the CCDC.	2023-04-10 downloaded from the CCDC.
;
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_cell_volume                     7990.1(2)
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_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0421
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_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.965
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_diffrn_reflns_theta_max         72.982
_diffrn_reflns_theta_min         4.207
_diffrn_source                   'micro-focus sealed X-ray tube'
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_exptl_absorpt_correction_T_max  0.107
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.110a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.538
_exptl_crystal_description       block
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_refine_ls_number_reflns         7714
_refine_ls_number_restraints     75
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0537
_refine_ls_R_factor_gt           0.0420
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0462P)^2^+0.3913P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1010
_refine_ls_wR_factor_ref         0.1096
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6293
_reflns_number_total             7996
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3ce00142c2.cif
_cod_data_source_block           1
_cod_depositor_comments          'Adding full bibliography for 7246585.cif.'
_cod_original_sg_symbol_H-M      'I 2/a'
_cod_database_code               7246585
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.157
_shelx_estimated_absorpt_t_max   0.213
_shelx_res_checksum              67333
_shelx_hkl_checksum              56250