Crystallography Open Database

Information card for entry 7004960

Preview

Coordinates	7004960.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H88 Ga3
Calculated formula	C57 H88 Ga3
Title of publication	The reactions of dialkylgallium hydrides with tert-butylethynylbenzenes‒a systematic investigation into the course of hydrogallation reactions.
Authors of publication	Uhl, Werner; Claesener, Michael; Haddadpour, Sima; Jasper, Beate; Hepp, Alexander
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	4
Pages of publication	417 - 423
a	12.417 ± 0.005 Å
b	15.3 ± 0.005 Å
c	15.668 ± 0.005 Å
α	104.047 ± 0.005°
β	107.164 ± 0.005°
γ	94.608 ± 0.005°
Cell volume	2721.7 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0898
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1243
Weighted residual factors for all reflections included in the refinement	0.1386
Goodness-of-fit parameter for all reflections included in the refinement	0.978
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179753 (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 7/00/49.	7004960.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7004960.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7004960.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7004960.cif