Crystallography Open Database

Information card for entry 7223229

Preview

Coordinates	7223229.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H3 K O4
Calculated formula	C4 H3 K O4
Title of publication	Tuning of double-well potential of short strong hydrogen bond by ionic interactions in alkali metal hydrodicarboxylates
Authors of publication	Ananyev, Ivan V.; Bushmarinov, Ivan S.; Ushakov, Ivan E.; Aitkulova, Liliya I.; Lyssenko, Konstantin A.
Journal of publication	RSC Adv.
Year of publication	2015
a	6.2374 ± 0.0004 Å
b	6.8401 ± 0.0004 Å
c	7.4662 ± 0.0004 Å
α	68.133 ± 0.001°
β	72.766 ± 0.001°
γ	63.394 ± 0.001°
Cell volume	261.08 ± 0.03 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0261
Residual factor for significantly intense reflections	0.024
Weighted residual factors for significantly intense reflections	0.0658
Weighted residual factors for all reflections included in the refinement	0.0679
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7223229.html