Crystallography Open Database

Information card for entry 2023153

2023152 << 2023153 >> 2023154

Preview

Coordinates	2023153.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	1,1'-Bis(carboxylatomethyl)-4,4'-bipyridine-1,1'-diium
Formula	C14 H20 N2 O8
Calculated formula	C14 H20 N2 O8
Title of publication	Crystal structures of 1,1'-bis-(carb-oxy-meth-yl)-4,4'-bipyridinium derivatives.
Authors of publication	Kumagai, Hitoshi; Kawata, Satoshi; Ogihara, Nobuhiro
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2024
Journal volume	80
Journal issue	Pt 7
Pages of publication	695 - 698
a	6.2521 ± 0.0002 Å
b	11.4122 ± 0.0004 Å
c	11.1413 ± 0.0004 Å
α	90°
β	99.4832 ± 0.0014°
γ	90°
Cell volume	784.07 ± 0.05 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0494
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1211
Weighted residual factors for all reflections included in the refinement	0.1227
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
293987 (current)	2024-08-07	cif/ Updating files of 2023152, 2023153 Original log message: Adding full bibliography for 2023152--2023153.cif.	2023153.cif
292198	2024-06-05	cif/ Adding structures of 2023152, 2023153 via cif-deposit CGI script.	2023153.cif