Structures of five salt forms of disulfonated monoazo dyes
Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J.; Acta Crystallographica Section C 76 (2020) 972–981; doi:10.1107/S2053229620012735

data_2022254
_publ_section_title
;
 Structures of five salt forms of disulfonated monoazo dyes
;
_journal_coeditor_code           YF3208
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              972
_journal_page_last               981
_journal_paper_doi               10.1107/S2053229620012735
_journal_volume                  76
_journal_year                    2020
_chemical_formula_iupac          '[Ca (C12 H8 N2 O6 S2) (H2 O1)4]'
_chemical_formula_moiety         'C12 H16 Ca N2 O10 S2'
_chemical_formula_sum            'C12 H16 Ca N2 O10 S2'
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_chemical_name_common
;
<i>catena</i>-Poly[[tetraaquacalcium(II)]-\m-azobenzene-3,3'-disulfonato]
;
_chemical_name_systematic
<i>catena</i>-Poly[[tetraaquacalcium(II)]-\m-3,3'-(diazane-1,2-diyl)bis(benzenesulfonato)]
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;
DENZO (Otwinowski & Minor, 1997)
;
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;
DENZO (Otwinowski & Minor, 1997) and COLLECT (Hooft, 1998)
;
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DENZO (Otwinowski & Minor, 1997)
;
_computing_molecular_graphics
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Mercury (Macrae <i>et al.</i>,  2020) and ORTEP-3 (Farrugia,
2012)
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SHELXL2014 (Sheldrick, 2015)
;
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SHELXL2014 (Sheldrick, 2015) and WinGX (Farrugia, 2012)
;
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;
SIR92 (Altomare <i>et al.</i>,  1994)
;
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_refine_ls_R_factor_all          0.0344
_refine_ls_R_factor_gt           0.0270
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0253P)^2^+0.2861P] where P=(Fo^2^+2Fc^2^)/3'
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'Adding full bibliography for 2022253--2022257.cif.'
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