Crystallography Open Database

Information card for entry 4329486

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Structure parameters

Formula	C2 H10 N10 O7 U
Calculated formula	C2 H10 N10 O7 U
SMILES	[U](=O)(=O)([OH2])([OH2])([OH2])([OH2])[n]1nnnc1N=Nc1[n-]nnn1.O
Title of publication	Nitrogen-rich Compounds of the Actinoids: Dioxouranium(VI) 5,5'-Azobis[tetrazolide] Pentahydrate and Its Unusually Small Uranyl Angle
Authors of publication	Georg Steinhauser; Gerald Giester; Christoph Wagner; Peter Weinberger; Bernhard Zachhuber; Georg Ramer; Mario Villa; Bernhard Lendl
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	6739 - 6745
a	8.977 ± 0.001 Å
b	6.942 ± 0.0005 Å
c	20.74 ± 0.002 Å
α	90°
β	96.665 ± 0.005°
γ	90°
Cell volume	1283.7 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.024
Weighted residual factors for significantly intense reflections	0.0419
Weighted residual factors for all reflections included in the refinement	0.0453
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4329486.cif
179397	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/94.	4329486.cif
78543	2013-04-02	cif/ Adding structures of 4329486 via cif-deposit CGI script.	4329486.cif