Crystallography Open Database

Information card for entry 7002920

Preview

Coordinates	7002920.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H42 Br2 Cl4 Ga2 O2 Si2
Calculated formula	C24 H42 Br2 Cl4 Ga2 O2 Si2
SMILES	C(=C\c1c(cc(/C=C(\[Ga]([O](CC)CC)(Cl)Cl)[Si](C)(C)C)c(c1)Br)Br)([Ga]([O](CC)CC)(Cl)Cl)/[Si](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	12.215 ± 0.003 Å
b	13.579 ± 0.003 Å
c	12.506 ± 0.003 Å
α	90°
β	114.753 ± 0.004°
γ	90°
Cell volume	1883.8 ± 0.8 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
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	0.051
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0731
Weighted residual factors for all reflections included in the refinement	0.0777
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
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.	7002920.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002920.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002920.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002920.cif