A luminescent cationic MOF for bimodal recognition of chromium and arsenic based oxo-anions in water.
Dutta, Subhajit; Let, Sumanta; Shirolkar, Mandar M.; Desai, Aamod V.; Samanta, Partha; Fajal, Sahel; More, Yogeshwar D.; Ghosh, Sujit K.; Dalton transactions (Cambridge, England : 2003) 50 (2021) 10133–10141; doi:10.1039/d1dt01097b

data_7707643
_publ_section_title
;
 A luminescent cationic MOF for bimodal recognition of chromium and
 arsenic based oxo-anions in water.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10133
_journal_page_last               10141
_journal_paper_doi               10.1039/d1dt01097b
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C66 H48 N12 Zn'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2021-03-27 deposited with the CCDC.	2021-06-04 downloaded from the CCDC.
;
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_computing_cell_refinement       'Bruker SAINT'
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_diffrn_measurement_device_type  'Bruker APEX3 Photon 100 CMOS chip'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_source                   'Micro-focus X-ray source'
_exptl_absorpt_coefficient_mu    0.294
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            Colourless
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_exptl_crystal_description       Hexagonal
_exptl_crystal_F_000             1674
_exptl_crystal_preparation       Luminescent
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_refine_ls_R_factor_all          0.1162
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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^)+(0.1429P)^2^+6.6113P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2106
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                1755
_reflns_number_total             3224
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt01097b2.cif
_cod_data_source_block           iMOF4C
_cod_depositor_comments          'Adding full bibliography for 7707643.cif.'
_cod_original_cell_volume        7014.7(14)
_cod_database_code               7707643
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