Crystallography Open Database

Information card for entry 8104872

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Coordinates	8104872.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H64 N18 O30 V10
Calculated formula	C60 H64 N18 O30 V10
Title of publication	The crystal structure of hexakis(2-(pyridin-2-ylamino)pyridin-1-ium) decavanadate(V) dihydrate, C60H64N18O30V10
Authors of publication	Cui, Chuansheng; Liu, Sen; Zhao, Wenli
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	1
Pages of publication	25 - 27
a	21.1781 ± 0.0019 Å
b	14.4198 ± 0.0013 Å
c	24.543 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	7495 ± 1.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1042
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1278
Weighted residual factors for all reflections included in the refinement	0.1482
Goodness-of-fit parameter for all reflections included in the refinement	0.935
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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