Crystallography Open Database

Information card for entry 7215878

Preview

Coordinates	7215878.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	caesium lithium D,L-tartrate dihydrate
Formula	C4 H8 Cs Li O8
Calculated formula	C4 H8 Cs Li O8
Title of publication	Interplay between hydrogen bonding and metal coordination in alkali metal tartrates and hydrogen tartrates
Authors of publication	Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, M.
Journal of publication	CrystEngComm
Year of publication	2014
a	5.0731 ± 0.0003 Å
b	16.9391 ± 0.0012 Å
c	10.5094 ± 0.0009 Å
α	90°
β	98.777 ± 0.002°
γ	90°
Cell volume	892.54 ± 0.11 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0737
Weighted residual factors for all reflections included in the refinement	0.0782
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7215878.cif
113623	2014-05-13	cif/ Adding structures of 7215876, 7215877, 7215878, 7215879 via cif-deposit CGI script.	7215878.cif