Crystallography Open Database

Information card for entry 2019291

2019290 << 2019291 >> 2019292

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Coordinates	2019291.cif
Original IUCr paper	HTML

Structure parameters

Common name	Calcium glycinatooxidodiperoxidovanadate(V) tetrahydrate
Chemical name	Calcium (glycinato-κ^2^<i>N</i>,<i>O</i>)oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')vanadate(V) tetrahydrate
Formula	C2 H12 Ca N O11 V
Calculated formula	C2 H12 Ca N O11 V
SMILES	[V]123(=O)(OO1)(OO2)[NH2]CC(=O)O3.[Ca+2].O.O.O.O
Title of publication	Calcium and strontium salts of (glycinato-κ^2^<i>N</i>,<i>O</i>)oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')vanadate(V) tetrahydrate
Authors of publication	Higuchi, Takeshi; Uchida, Ayana; Hashimoto, Masato
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	1494 - 1497
a	9.079 ± 0.002 Å
b	8.564 ± 0.002 Å
c	13.833 ± 0.004 Å
α	90°
β	106.016 ± 0.003°
γ	90°
Cell volume	1033.8 ± 0.4 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
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	0.0184
Residual factor for significantly intense reflections	0.0175
Weighted residual factors for significantly intense reflections	0.0475
Weighted residual factors for all reflections included in the refinement	0.0481
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176760 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2019291.cif
92112	2014-01-12	cif/ Adding structures of 2019291, 2019292 via cif-deposit CGI script.	2019291.cif