Crystallography Open Database

Information card for entry 7239796

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Coordinates	7239796.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H5 N3 O4
Calculated formula	C4 H5 N3 O4
Title of publication	Investigation of the thermal and conductive properties of oxalic acid salts with planar and undulating proton-conducting layers
Authors of publication	Widelicka, Małgorzata; Ławniczak, Paweł; Pietraszko, Adam; Pogorzelec-Glaser, Katarzyna; Łapiński, Andrzej
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	11
Pages of publication	2031 - 2041
a	5.6 ± 0.0005 Å
b	7.2286 ± 0.0006 Å
c	8.4078 ± 0.0008 Å
α	109.17 ± 0.008°
β	93.81 ± 0.007°
γ	103.285 ± 0.007°
Cell volume	309.12 ± 0.05 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0828
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1068
Weighted residual factors for all reflections included in the refinement	0.1261
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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