Crystallography Open Database

Information card for entry 4104153

Preview

Coordinates	4104153.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	undeca-methoxo-octa-oxo-hexavanadium
Formula	C11 H33 O19 V6
Calculated formula	C11 H33 O19 V6
Title of publication	A Mixed-Valence VIV/VV Alkoxo-polyoxovanadium Cluster Series [V6O8(OCH3)11]n+/-: Exploring the Influence of a μ-Oxo Ligand in a Spin Frustrated Structure
Authors of publication	Charles Daniel; Hans Hartl
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	5101 - 5114
a	10.116 ± 0.0019 Å
b	13.004 ± 0.003 Å
c	10.385 ± 0.002 Å
α	90°
β	97.72 ± 0.004°
γ	90°
Cell volume	1353.7 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0385
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0819
Weighted residual factors for all reflections included in the refinement	0.0887
Goodness-of-fit parameter for all reflections included in the refinement	0.898
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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