Crystallography Open Database

Information card for entry 7041446

Preview

Coordinates	7041446.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H35 Ga N2
Calculated formula	C24 H35 Ga N2
SMILES	[Ga](C)(C)(C)=C1N(CCN1c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C
Title of publication	Aryl-NHC-group 13 trimethyl complexes: structural, stability and bonding insights.
Authors of publication	Wu, Melissa M.; Gill, Arran M.; Yunpeng, Lu; Yongxin, Li; Ganguly, Rakesh; Falivene, Laura; García, Felipe
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	3
Pages of publication	854 - 864
a	17.6361 ± 0.0008 Å
b	16.5723 ± 0.0007 Å
c	15.9218 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4653.5 ± 0.4 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0744
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1034
Weighted residual factors for all reflections included in the refinement	0.144
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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
191630 (current)	2017-02-04	cif/ Updating files of 7041446, 7041447, 7041448, 7041449, 7041450, 7041451, 7041452, 7041453 Original log message: Adding full bibliography for 7041446--7041453.cif.	7041446.cif
189137	2016-12-15	cif/ Adding structures of 7041446, 7041447, 7041448, 7041449, 7041450, 7041451, 7041452, 7041453 via cif-deposit CGI script.	7041446.cif