Crystallography Open Database

Information card for entry 7045954

Preview

Coordinates	7045954.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H40 N4 O20 V4
Calculated formula	C20 H40 N4 O20 V4
Title of publication	A pair of new chiral polyoxovanadates with decent NLO properties.
Authors of publication	Cao, Jiapeng; Xiong, Yao; Luo, Ximing; Chen, Lu; Shi, Jie; Zhou, Mengjie; Xu, Yan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	17
Pages of publication	6054 - 6058
a	9.904 ± 0.003 Å
b	14.855 ± 0.005 Å
c	21.6 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	3177.9 ± 1.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0858
Residual factor for significantly intense reflections	0.0749
Weighted residual factors for significantly intense reflections	0.1937
Weighted residual factors for all reflections included in the refinement	0.2008
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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