Crystallography Open Database

Information card for entry 7124205

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Structure parameters

Formula	C68 H156 N2 O31 V6
Calculated formula	C68 H156 N2 O31 V6
Title of publication	Surface functionalization of polyoxovanadium clusters: Generation of highly soluble charge carriers for nonaqueous energy storage
Authors of publication	VanGelder, Lauren E.; Pratt III, Harry D; Anderson, Travis M.; Matson, Ellen
Journal of publication	Chemical Communications
Year of publication	2019
a	15.1238 ± 0.0001 Å
b	17.5194 ± 0.0002 Å
c	17.4026 ± 0.0001 Å
α	90°
β	97.403 ± 0.001°
γ	90°
Cell volume	4572.56 ± 0.07 Å³
Cell temperature	222.99 ± 0.1 K
Ambient diffraction temperature	222.99 ± 0.1 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	0.0451
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.1027
Weighted residual factors for all reflections included in the refinement	0.1065
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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