Stable hydrogen-bonded organic frameworks for selective fluorescence detection of Al3+ and Fe3+ ions
Xiao, Cheng-Quan; Yi, Wen-Hai; Hu, Jun-Jie; Liu, Sui-Jun; Wen, He-Rui; CrystEngComm 23 (2021) 8334–8342; doi:10.1039/D1CE01182K

data_7243831
_publ_section_title
;
 Stable hydrogen-bonded organic frameworks for selective fluorescence
 detection of Al3+ and Fe3+ ions
;
_journal_issue                   47
_journal_name_full               CrystEngComm
_journal_page_first              8334
_journal_page_last               8342
_journal_paper_doi               10.1039/D1CE01182K
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C43 H35 N2 O9'
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_audit_update_record
;
2021-04-25 deposited with the CCDC.	2021-10-28 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      295(2)
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_reflns_theta_full        25.242
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_exptl_absorpt_coefficient_mu    0.091
_exptl_crystal_colour            yellow
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_exptl_crystal_size_mid          0.140
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_refine_diff_density_max         1.545
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1399P)^2^+8.1542P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2090
_refine_ls_wR_factor_ref         0.2620
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5188
_reflns_number_total             8529
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ce01182k2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 7243830--7243833.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7243831
_shelx_shelxl_version_number     2017/1
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_shelx_res_checksum              54228
_shelx_hkl_checksum              70912