Crystallography Open Database

Information card for entry 7106756

Preview

Coordinates	7106756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H124 Cu5.5 N22 Nb12 O60 V3
Calculated formula	C22 H87 Cu5.5 N22 Nb12 O60 V3
Title of publication	An unprecedented vanadoniobate cluster with 'trans-vanadium' bicapped Keggin-type {VNb12O40(VO)2}
Authors of publication	Guiling Guo; Yanqing Xu; Jie Cao; Changwen Hu
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	9411
a	25.6242 ± 0.0017 Å
b	14.3236 ± 0.0009 Å
c	25.0786 ± 0.0016 Å
α	90°
β	103.088 ± 0.001°
γ	90°
Cell volume	8965.5 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0438
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.1036
Weighted residual factors for all reflections included in the refinement	0.1079
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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