Crystallography Open Database

Information card for entry 7244907

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Coordinates	7244907.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[HImidazole][(NbOF4]
Formula	C3 H5 F4 N2 Nb O
Calculated formula	C3 H5 F4 N2 Nb O
Title of publication	Structural Phase Transition and Switchable Dielectric Behaviour of a One-Dimensional Chains Niobium Oxyfluoride
Authors of publication	Feng, Yan; Wang, Ze-Jie; Li, Long-He; Liao, Rong-Meng; Hu, Zhao-Bo; Li, Jian-Rong; Shi, Chao; Ye, Heng-Yun
Journal of publication	CrystEngComm
Year of publication	2022
a	6.7682 ± 0.0007 Å
b	3.9248 ± 0.0004 Å
c	13.5199 ± 0.0015 Å
α	90°
β	92.765 ± 0.01°
γ	90°
Cell volume	358.72 ± 0.07 Å³
Cell temperature	270 ± 2 K
Ambient diffraction temperature	270 ± 2 K
Number of distinct elements	6
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	0.092
Residual factor for significantly intense reflections	0.0895
Weighted residual factors for significantly intense reflections	0.2225
Weighted residual factors for all reflections included in the refinement	0.2241
Goodness-of-fit parameter for all reflections included in the refinement	1.242
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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