The construction of a multifunctional luminescent Eu-MOF for the sensing of Fe3+, Cr2O72− and amines in aqueous solution
Wang, Cui-Li; Zheng, Ya-Xin; Chen, Le; Zhu, Cai-Yong; Gao, Wei; Li, Peng; Jie-Ping, Liu; Zhang, Xiu-Mei; CrystEngComm 23 (2021) 7581–7589; doi:10.1039/D1CE01192H

data_7243623
_publ_section_title
;
 The construction of a multifunctional luminescent Eu-MOF for the sensing
 of Fe3+, Cr2O72&#x2212; and amines in aqueous solution
;
_journal_issue                   43
_journal_name_full               CrystEngComm
_journal_page_first              7581
_journal_page_last               7589
_journal_paper_doi               10.1039/D1CE01192H
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C28 H30 Eu N2 O19.5'
_chemical_formula_weight         858.50
_space_group_crystal_system      orthorhombic
_space_group_IT_number           52
_space_group_name_Hall           '-P 2a 2bc'
_space_group_name_H-M_alt        'P n n a'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-09-02 deposited with the CCDC.	2021-09-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   27.0123(16)
_cell_length_b                   21.1322(11)
_cell_length_c                   11.5913(6)
_cell_measurement_reflns_used    9924
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.43
_cell_measurement_theta_min      3.01
_cell_volume                     6616.7(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0700
_diffrn_reflns_av_unetI/netI     0.0225
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
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_diffrn_reflns_theta_max         25.007
_diffrn_reflns_theta_min         2.865
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.985
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.724
_exptl_crystal_description       block
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_exptl_crystal_size_mid          0.080
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_refine_ls_extinction_method     none
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_refine_ls_number_parameters     392
_refine_ls_number_reflns         5839
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0266
_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^)+(0.0223P)^2^+15.7609P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0571
_refine_ls_wR_factor_ref         0.0628
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4728
_reflns_number_total             5839
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ce01192h2.cif
_cod_data_source_block           1
_cod_depositor_comments          'Adding full bibliography for 7243623.cif.'
_cod_original_formula_sum        'C28 H30 Eu N2 O19.50'
_cod_database_code               7243623
_shelx_shelxl_version_number     2014/7
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_shelx_estimated_absorpt_t_max   0.857
_shelx_res_checksum              79488
_shelx_hkl_checksum              62680
_shelx_fab_checksum              73283