Crystallography Open Database

Information card for entry 7241572

Preview

Coordinates	7241572.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4,4-bipyridinium bis(hydrogen oxalate)
Formula	C14 H12 N2 O8
Calculated formula	C14 H12 N2 O8
Title of publication	Crystallisation of organic salts by sublimation: salt formation from the gas phase
Authors of publication	Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	45
Pages of publication	7826 - 7831
a	3.7614 ± 0.0003 Å
b	9.8932 ± 0.0007 Å
c	10.4498 ± 0.0007 Å
α	116.121 ± 0.001°
β	96.721 ± 0.001°
γ	98.409 ± 0.001°
Cell volume	338.11 ± 0.04 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0457
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1215
Weighted residual factors for all reflections included in the refinement	0.1264
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
259315 (current)	2020-11-29	cif/ Adding structures of 7241569, 7241570, 7241571, 7241572, 7241573, 7241574, 7241575, 7241576, 7241577, 7241578 via cif-deposit CGI script.	7241572.cif