Crystallography Open Database

Information card for entry 1559027

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Structure parameters

Common name	Ammonium Diaquadioxalatooxoniobate(V) Dihydrate, NH4[NbO(C2O4)2(H2O)2].(H2O)2
Formula	C4 H12 N Nb O13
Calculated formula	C4 H12 N Nb O13
SMILES	[NH4+].O=[Nb]12(OC(=O)C(=O)O1)([OH2])(OC(=O)C(=O)O2)[OH2].O.O
Title of publication	Crystal Structure of Ammonium Diaquadioxalatooxoniobate(V) Dihydrate, NH4[NbO(C2O4)2(H2O)2].(H2O)2
Authors of publication	Eriksson, Lars; Svensson, Gunnar; Tabachenko, Valeri
Journal of publication	Acta Chemica Scandinavica
Year of publication	1993
Journal volume	47
Pages of publication	1038 - 1040
a	6.331 ± 0.003 Å
b	11.754 ± 0.006 Å
c	7.9 ± 0.004 Å
α	90°
β	99.26 ± 0.02°
γ	90°
Cell volume	580.2 ± 0.5 Å³
Ambient diffraction temperature	153 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.044
Diffraction radiation probe	x-ray
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1559027.cif
256253	2020-09-09	cif/ Adding structures of 1559027 via cif-deposit CGI script.	1559027.cif