Al(III)-NTA-fluoride: a simple model system for Al-F binding with interesting thermodynamics.
Hacaperková, Eliška; Jaroš, Adam; Kotek, Jan; Notni, Johannes; Straka, Michal; Kubíček, Vojtěch; Hermann, Petr; Dalton transactions (Cambridge, England : 2003) 49 (2020) 13726–13736; doi:10.1039/d0dt02644a

data_7705489
_publ_section_title
;
 Al(III)-NTA-fluoride: a simple model system for Al-F binding with
 interesting thermodynamics.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13726
_journal_page_last               13736
_journal_paper_doi               10.1039/d0dt02644a
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C6 H10 Al N O8, 2(H2 O)'
_chemical_formula_sum            'C6 H14 Al N O10'
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_audit_update_record
;
2019-10-11 deposited with the CCDC.	2020-09-22 downloaded from the CCDC.
;
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;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            colourless
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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^)+(0.0386P)^2^+1.3942P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             4740
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt02644a2.cif
_cod_data_source_block           alnta
_cod_depositor_comments          'Adding full bibliography for 7705489.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7705489
_shelx_shelxl_version_number     2014/7
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_shelx_res_checksum              3654