Crystallography Open Database

Information card for entry 7002926

Preview

Coordinates	7002926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H70 Al2
Calculated formula	C46 H70 Al2
SMILES	C1(/[Al](C(=C\C(C)(C)C)\c2ccc(C(/[Al](/C(=C/C(C)(C)C)c3ccc1cc3)CC(C)(C)C)=C\C(C)(C)C)cc2)CC(C)(C)C)=C\C(C)(C)C
Title of publication	The influence of halogen substituents on the course of hydrogallation and hydroalumination reactions
Authors of publication	Uhl, Werner; Claesener, Michael; Hepp, Alexander; Jasper, Beate; Vinogradov, Andrej; van Wüllen, Leo; Köster, Thomas K.-J.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	47
Pages of publication	10550 - 10562
a	6.0951 ± 0.0003 Å
b	13.0684 ± 0.0005 Å
c	14.8985 ± 0.0006 Å
α	108.541 ± 0.003°
β	94.003 ± 0.003°
γ	97.057 ± 0.003°
Cell volume	1109.09 ± 0.09 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0789
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1471
Weighted residual factors for all reflections included in the refinement	0.1664
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179733 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/29.	7002926.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002926.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002926.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002926.cif