Crystallography Open Database

Information card for entry 4071998

4071997 << 4071998 >> 4071999

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Coordinates	4071998.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H23 Al O
Calculated formula	C22 H23 Al O
SMILES	[Al]([O]1CCCC1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Synthesis and Properties of Calcium Tetraorganylalanates with [Me4−nAlPhn]−Anions
Authors of publication	Krieck, Sven; Görls, Helmar; Westerhausen, Matthias
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	19
Pages of publication	5052
a	9.5777 ± 0.0003 Å
b	12.781 ± 0.0006 Å
c	16.0315 ± 0.0008 Å
α	90°
β	105.089 ± 0.003°
γ	90°
Cell volume	1894.8 ± 0.15 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0936
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1123
Weighted residual factors for all reflections included in the refinement	0.1309
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4071998.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4071998.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071998.cif
44166	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071998, 4071999, 4072000, 4072001, 4072002 via cif-deposit CGI script.	4071998.cif