Crystallography Open Database

Information card for entry 3500067

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Coordinates	3500067.cif
Structure factors	3500067.hkl

Structure parameters

Formula	Al Cl3 H12 O6
Calculated formula	Al Cl3 H12 O6
Authors of publication	Maris, Thierry
Journal of publication	Personal communication to COD
Year of publication	2017
a	11.8359 ± 0.0004 Å
b	11.8359 ± 0.0004 Å
c	11.8492 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	1437.55 ± 0.08 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	167
Hermann-Mauguin space group symbol	R -3 c
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0242
Residual factor for significantly intense reflections	0.024
Weighted residual factors for significantly intense reflections	0.0562
Weighted residual factors for all reflections included in the refinement	0.0563
Goodness-of-fit parameter for all reflections included in the refinement	1.263
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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