A 3D photoluminescent Eu(iii)-MOF sensor supported by a tetracarboxylate ligand for the sensitive and selective detection of Cd2+ and o-nitrophenol
Sen, Charanjeet; Devi, Swaita; Niharika,; Bhagat, Nidhi; Sheikh, Haq Nawaz; New Journal of Chemistry 48 (2024) 15136–15148; doi:10.1039/D4NJ02641A

data_7063384
_publ_section_title
;
 A 3D photoluminescent Eu(iii)-MOF sensor supported by a tetracarboxylate
 ligand for the sensitive and selective detection of Cd2+ and
 o-nitrophenol
;
_journal_issue                   34
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              15136
_journal_page_last               15148
_journal_paper_doi               10.1039/D4NJ02641A
_journal_volume                  48
_journal_year                    2024
_chemical_formula_sum            'C10 H5 Eu O9'
_chemical_formula_weight         421.10
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-05-17 deposited with the CCDC.	2024-07-19 downloaded from the CCDC.
;
_cell_angle_alpha                88.275(5)
_cell_angle_beta                 73.972(5)
_cell_angle_gamma                76.714(5)
_cell_formula_units_Z            2
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_cell_length_b                   9.2759(10)
_cell_length_c                   9.4488(10)
_cell_measurement_reflns_used    6090
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      66.89
_cell_measurement_theta_min      4.87
_cell_volume                     518.39(10)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker AXS Kappa Apex2 diffractometer'
_diffrn_measurement_method       '\w and \f scan'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0568
_diffrn_reflns_av_unetI/netI     0.0431
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            7538
_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        66.884
_diffrn_reflns_theta_max         66.883
_diffrn_reflns_theta_min         4.873
_diffrn_source                   'Sealed tube'
_exptl_absorpt_coefficient_mu    43.843
_exptl_absorpt_correction_T_max  0.116
_exptl_absorpt_correction_T_min  0.017
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruer, 1999)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.698
_exptl_crystal_description       block
_exptl_crystal_F_000             400
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.150
_refine_diff_density_max         1.031
_refine_diff_density_min         -0.894
_refine_diff_density_rms         0.169
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.129
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     190
_refine_ls_number_reflns         1810
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.129
_refine_ls_R_factor_all          0.0336
_refine_ls_R_factor_gt           0.0327
_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^)+(0.0570P)^2^+0.2915P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0875
_refine_ls_wR_factor_ref         0.0887
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1746
_reflns_number_total             1810
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4nj02641a2.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 7063384.cif.'
_cod_database_code               7063384
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.041
_shelx_estimated_absorpt_t_max   0.058
_shelx_res_checksum              16862