Crystallography Open Database

Information card for entry 4086849

Preview

Coordinates	4086849.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	trichloro(quinolinium-8-yl)gallate(III) zwitterion; 5
Formula	C9 H7 Cl3 Ga N
Calculated formula	C9 H7 Cl3 Ga N
SMILES	[Ga](Cl)(Cl)(Cl)c1c2[nH+]cccc2ccc1
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	6.9531 ± 0.0012 Å
b	9.447 ± 0.0016 Å
c	9.6421 ± 0.0016 Å
α	71.449 ± 0.002°
β	73.839 ± 0.002°
γ	69.285 ± 0.001°
Cell volume	551.72 ± 0.16 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	0.0379
Residual factor for significantly intense reflections	0.0252
Weighted residual factors for significantly intense reflections	0.0478
Weighted residual factors for all reflections included in the refinement	0.0537
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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.	4086849.cif
189673	2017-01-01	cif/ Adding structures of 4086847, 4086848, 4086849, 4086850, 4086851, 4086852 via cif-deposit CGI script.	4086849.cif