Crystallography Open Database

Information card for entry 4515256

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Structure parameters

Formula	C20 H16 N2 O4
Calculated formula	C20 H16 N2 O4
Title of publication	Reversible High-Voltage N-Redox Chemistry in Metal–Organic Frameworks for High-Rate Anion-Intercalation Batteries
Authors of publication	Lou, Xiaobing; Geng, Fushan; Hu, Bei; Li, Chao; Shen, Ming; Hu, Bingwen
Journal of publication	ACS Applied Energy Materials
Year of publication	2018
Journal volume	2
Journal issue	1
Pages of publication	413
a	9.0016 ± 0.0003 Å
b	10.0412 ± 0.0002 Å
c	15.461 ± 0.0006 Å
α	92.633 ± 0.002°
β	106.665 ± 0.003°
γ	97.402 ± 0.002°
Cell volume	1322.56 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.087
Residual factor for significantly intense reflections	0.0789
Weighted residual factors for significantly intense reflections	0.2322
Weighted residual factors for all reflections included in the refinement	0.2417
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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