Crystallography Open Database

Information card for entry 4086847

Preview

Coordinates	4086847.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	dichloropyridinyl(quinolin-8-yl)gallium(III); 2
Formula	C14 H11 Cl2 Ga N2
Calculated formula	C14 H11 Cl2 Ga N2
SMILES	[Ga](Cl)(Cl)([n]1ccccc1)c1cccc2c1nccc2
Title of publication	Dehydrodechlorination of Methylene Chloride, Chloroform, and Chlorodiphenylmethane in the Presence of Ga/N Lewis Pairs
Authors of publication	Son, Jung-Ho; Tamang, Sem Raj; Fostvedt, Jade I.; Hoefelmeyer, James D.
Journal of publication	Organometallics
Year of publication	2017
Journal volume	36
Journal issue	2
Pages of publication	474
a	25.163 ± 0.004 Å
b	7.4436 ± 0.0012 Å
c	15.304 ± 0.003 Å
α	90°
β	106.544 ± 0.002°
γ	90°
Cell volume	2747.8 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0709
Residual factor for significantly intense reflections	0.0636
Weighted residual factors for significantly intense reflections	0.1874
Weighted residual factors for all reflections included in the refinement	0.1923
Goodness-of-fit parameter for all reflections included in the refinement	1.132
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
191367 (current)	2017-02-04	cif/ Updating files of 4086847, 4086848, 4086849, 4086850, 4086851, 4086852 Original log message: Adding full bibliography for 4086847--4086852.cif.	4086847.cif
189673	2017-01-01	cif/ Adding structures of 4086847, 4086848, 4086849, 4086850, 4086851, 4086852 via cif-deposit CGI script.	4086847.cif