Crystallography Open Database

Information card for entry 7227720

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Coordinates	7227720.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H3 Cl Li N3 O3
Calculated formula	C3 H3 Cl Li N3 O3
Title of publication	Anhydrous ionic co-crystals of cyanuric acid with LiCl and NaCl
Authors of publication	Shemchuk, Oleksii; Braga, Dario; Maini, Lucia; Grepioni, Fabrizia
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	10
Pages of publication	1366
a	7.7079 ± 0.0001 Å
b	7.7079 ± 0.0001 Å
c	9.4483 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	486.135 ± 0.018 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	160
Hermann-Mauguin space group symbol	R 3 m :H
Hall space group symbol	R 3 -2"
Residual factor R(I) for significantly intense reflections	0.0725
Goodness-of-fit parameter for all reflections	15.8185
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.775311 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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