Central metal ion of MOFs modulates the fluorescence detection of Fe3+
Liu, Haitao; Li, Senlin; Zhao, Bo; Gu, Yanan; Sun, Qiaozhen; Zhang, Bingguang; CrystEngComm 27 (2025) 4582–4590; doi:10.1039/D5CE00419E

data_7250483
_publ_section_title
;
 Central metal ion of MOFs modulates the fluorescence detection of Fe3+
;
_journal_issue                   26
_journal_name_full               CrystEngComm
_journal_page_first              4582
_journal_page_last               4590
_journal_paper_doi               10.1039/D5CE00419E
_journal_volume                  27
_journal_year                    2025
_chemical_formula_moiety         'C20 H12 N4 O4 Sr'
_chemical_formula_sum            'C20 H12 N4 O4 Sr'
_chemical_formula_weight         459.96
_space_group_crystal_system      orthorhombic
_space_group_IT_number           54
_space_group_name_Hall           '-P 2a 2ac'
_space_group_name_H-M_alt        'P c c a'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2024-11-22 deposited with the CCDC.	2025-05-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_length_c                   8.3633(6)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.652
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_cell_volume                     1674.8(2)
_computing_cell_refinement       'Bruker SMART'
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_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      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.995
_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  0.0392
_diffrn_reflns_av_unetI/netI     0.0287
_diffrn_reflns_Laue_measured_fraction_full 0.996
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_diffrn_reflns_limit_k_min       -15
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_diffrn_reflns_theta_min         3.024
_exptl_absorpt_coefficient_mu    3.259
_exptl_absorpt_correction_T_max  0.5432
_exptl_absorpt_correction_T_min  0.5265
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.824
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_exptl_crystal_F_000             920
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_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.329
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         1975
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0368
_refine_ls_R_factor_gt           0.0235
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0249P)^2^+0.7968P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0533
_refine_ls_wR_factor_ref         0.0567
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1542
_reflns_number_total             1975
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7250482--7250483.cif.'
_cod_database_code               7250483
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