Crystallography Open Database

Information card for entry 7215877

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Structure parameters

Common name	caesium D,L-hydrogen tartrate
Formula	C4 H5 Cs O6
Calculated formula	C4 H5 Cs O6
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	5.0645 ± 0.0003 Å
b	7.2545 ± 0.0005 Å
c	9.957 ± 0.0006 Å
α	72.369 ± 0.004°
β	85.46 ± 0.004°
γ	85.837 ± 0.003°
Cell volume	347.09 ± 0.04 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0302
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0696
Weighted residual factors for all reflections included in the refinement	0.0707
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7215877.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7215877.cif
113623	2014-05-13	cif/ Adding structures of 7215876, 7215877, 7215878, 7215879 via cif-deposit CGI script.	7215877.cif