Crystallography Open Database

Information card for entry 2202575

2202574 << 2202575 >> 2202576

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2202575.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Trichloro(diethyl ether-κO)aluminum(III)
Formula	C4 H10 Al Cl3 O
Calculated formula	C4 H10 Al Cl3 O
SMILES	[Al](Cl)(Cl)(Cl)[O](CC)CC
Title of publication	Trichloro(diethyl ether-κ<i>O</i>)aluminium(III) from a twinned crystal
Authors of publication	Hubener, Lukas; Lerner, Hans-Wolfram; Bolte, Michael
Journal of publication	Acta Crystallographica Section E
Year of publication	2003
Journal volume	59
Journal issue	10
Pages of publication	m929 - m930
a	6.8961 ± 0.0008 Å
b	11.2426 ± 0.0009 Å
c	12.5118 ± 0.0014 Å
α	90°
β	90.611 ± 0.009°
γ	90°
Cell volume	969.99 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.103
Weighted residual factors for all reflections included in the refinement	0.11
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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