A multi-responsive luminescent sensor based on a stable Eu(iii) metal–organic framework for sensing Fe3+, MnO4−, and Cr2O72− in aqueous solutions
He, Qi-Qi; Yao, Shu-Li; Zheng, Teng-Fei; Xu, Hui; Liu, Sui-Jun; Chen, Jing-Lin; Li, Na; Wen, He-Rui; CrystEngComm 24 (2022) 1041–1048; doi:10.1039/D1CE01503F

data_7244099
_publ_section_title
;
 A multi-responsive luminescent sensor based on a stable Eu(iii)
 metal--organic framework for sensing Fe3+, MnO4&#x2212;, and
 Cr2O72&#x2212; in aqueous solutions
;
_journal_issue                   5
_journal_name_full               CrystEngComm
_journal_page_first              1041
_journal_page_last               1048
_journal_paper_doi               10.1039/D1CE01503F
_journal_volume                  24
_journal_year                    2022
_chemical_formula_sum            'C45 H49 Eu3 N12 O24 S4'
_chemical_formula_weight         1726.08
_space_group_crystal_system      orthorhombic
_space_group_IT_number           20
_space_group_name_Hall           'C 2c 2'
_space_group_name_H-M_alt        'C 2 2 21'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2021-12-21 deposited with the CCDC.	2021-12-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.7170(6)
_cell_length_b                   14.3696(6)
_cell_length_c                   23.7326(10)
_cell_measurement_reflns_used    9359
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      54.955
_cell_measurement_theta_min      5.797
_cell_volume                     5018.9(4)
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0277
_diffrn_reflns_av_unetI/netI     0.0195
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            38458
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.489
_diffrn_reflns_theta_min         2.962
_exptl_absorpt_coefficient_mu    3.976
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.284
_exptl_crystal_description       block
_exptl_crystal_F_000             3392
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.050
_refine_diff_density_min         -2.823
_refine_diff_density_rms         0.241
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.19(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.123
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     309
_refine_ls_number_reflns         5764
_refine_ls_number_restraints     84
_refine_ls_restrained_S_all      1.196
_refine_ls_R_factor_all          0.0397
_refine_ls_R_factor_gt           0.0384
_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^)+(0.0701P)^2^+78.8596P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1154
_refine_ls_wR_factor_ref         0.1166
_reflns_Friedel_coverage         0.818
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                5596
_reflns_number_total             5764
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ce01503f2.cif
_cod_data_source_block           JXUST-9
_cod_depositor_comments          'Adding full bibliography for 7244099.cif.'
_cod_database_code               7244099
_shelx_shelxl_version_number     2017/1
_shelx_res_checksum              82629
_shelx_hkl_checksum              35804
_shelx_fab_checksum              86851