Crystallography Open Database

Information card for entry 2204338

2204337 << 2204338 >> 2204339

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Structure parameters

Chemical name	Pentaaquaoxovanadium(IV) bis(sulfosalicylate) dihydrate
Formula	C14 H24 O20 S2 V
Calculated formula	C14 H24 O20 S2 V
SMILES	[V](=O)([OH2])([OH2])([OH2])([OH2])[OH2].OC(=O)c1cc(S(=O)(=O)[O-])ccc1O.OC(=O)c1cc(S(=O)(=O)[O-])ccc1O.O.O
Title of publication	Pentaaquaoxovanadium(IV) bis(sulfonatosalicylic acid) dihydrate
Authors of publication	Lianzhi Li; Tao Xu; Daqi Wang; Meiju Niu
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	10
Pages of publication	m1374 - m1375
a	12.873 ± 0.011 Å
b	6.777 ± 0.006 Å
c	27.28 ± 0.02 Å
α	90°
β	94.393 ± 0.012°
γ	90°
Cell volume	2373 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0559
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.0717
Goodness-of-fit parameter for all reflections included in the refinement	0.901
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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