Crystallography Open Database

Information card for entry 4001640

Preview

Coordinates	4001640.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H24 Nb2 O16 Re2
Calculated formula	C8 H24 Nb2 O16 Re2
SMILES	CO[Nb]1(OC)(OC)(O[Re](=O)(=O)=O)[O]([Nb]([O]1C)(OC)(OC)(OC)O[Re](=O)(=O)=O)C
Title of publication	Alkoxide Route to Mixed Oxides of Rhenium, Niobium, and Tantalum. Preparation and X-ray Single-Crystal Study of a Novel Rhenium−Niobium Methoxo Complex, Nb2(OMe)8(ReO4)2
Authors of publication	Shcheglov, Pavel A.; Drobot, Dmitry V.; Seisenbaeva, Gulaim A.; Gohil, Suresh; Kessler, Vadim G.
Journal of publication	Chemistry of Materials
Year of publication	2002
Journal volume	14
Journal issue	5
Pages of publication	2378
a	8.5609 ± 0.0016 Å
b	12.89 ± 0.003 Å
c	10.652 ± 0.003 Å
α	90°
β	97.31 ± 0.03°
γ	90°
Cell volume	1165.9 ± 0.5 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.1419
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.1417
Weighted residual factors for all reflections included in the refinement	0.1604
Goodness-of-fit parameter for all reflections included in the refinement	0.902
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.