Crystallography Open Database

Information card for entry 1544982

Preview

Coordinates	1544982.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ga[OSi(OtBu)3]3(thf)
Formula	C40 H89 Ga O13 Si3
Calculated formula	C40 H89 Ga O13 Si3
SMILES	[Ga]([O]1CCCC1)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C
Title of publication	Silica-supported isolated gallium sites as highly active, selective and stable propane dehydrogenation catalysts
Authors of publication	Searles, Keith; Siddiqi, Georges; Safonova, Olga V.; Copéret, Christophe
Journal of publication	Chem. Sci.
Year of publication	2017
Journal volume	8
Journal issue	4
Pages of publication	2661
a	18.0886 ± 0.0005 Å
b	25.2724 ± 0.001 Å
c	26.1157 ± 0.001 Å
α	62.983 ± 0.004°
β	89.953 ± 0.003°
γ	89.655 ± 0.003°
Cell volume	10635.5 ± 0.8 Å³
Cell temperature	100 ± 1.7 K
Ambient diffraction temperature	100 ± 1.7 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1188
Residual factor for significantly intense reflections	0.0741
Weighted residual factors for significantly intense reflections	0.1174
Weighted residual factors for all reflections included in the refinement	0.1374
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
194992 (current)	2017-04-05	cif/ Updating files of 1544982 Original log message: Adding full bibliography for 1544982.cif.	1544982.cif
189806	2017-01-04	cif/ Adding structures of 1544982 via cif-deposit CGI script.	1544982.cif