Crystallography Open Database

Information card for entry 2311995

2311994 << 2311995 >> 2311996

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Coordinates	2311995.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	lithium sodium hydrogen citrate
Chemical name	lithium sodium hydrogen citrate
Formula	C6 H6 Li Na O7
Calculated formula	C6 H6 Li Na O7
SMILES	C(=O)(CC(O)(CC(=O)[O-])C(=O)[O-])O.[Li+].[Na+]
Title of publication	Dilithium (citrate) crystals and their relatives.
Authors of publication	Cigler, Andrew J.; Kaduk, James A.
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2018
Journal volume	74
Journal issue	Pt 10
Pages of publication	1160 - 1170
a	6.5811 ± 0.0004 Å
b	6.357 ± 0.0004 Å
c	9.9389 ± 0.0005 Å
α	91.762 ± 0.005°
β	104.388 ± 0.005°
γ	97.438 ± 0.004°
Cell volume	398.52 ± 0.04 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
RFsqd	0.14161
Goodness-of-fit parameter for all reflections	2.05
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.709237 Å
Diffraction radiation type	Kα~1~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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