Crystallography Open Database

Information card for entry 4086852

Preview

Coordinates	4086852.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(py)2H+][trichloro(quinolin-8-yl)gallate(III)]; 6
Formula	C19 H17 Cl3 Ga N3
Calculated formula	C19 H17 Cl3 Ga N3
SMILES	[Ga](Cl)(Cl)(Cl)c1cccc2c1nccc2.[nH+]1ccccc1.n1ccccc1
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	7.5788 ± 0.0009 Å
b	9.4807 ± 0.0012 Å
c	15.0912 ± 0.0019 Å
α	75.331 ± 0.001°
β	79.329 ± 0.001°
γ	69.002 ± 0.001°
Cell volume	974 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0279
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.0587
Weighted residual factors for all reflections included in the refinement	0.0608
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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.	4086852.cif
189673	2017-01-01	cif/ Adding structures of 4086847, 4086848, 4086849, 4086850, 4086851, 4086852 via cif-deposit CGI script.	4086852.cif