Crystallography Open Database

Information card for entry 4110894

Preview

Coordinates	4110894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H60 Ga N2
Calculated formula	C48 H60 Ga N2
SMILES	[Ga]1([N](=Nc2c(cc(cc12)C)C)c1c(cc(cc1C)C)C)(c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C
Title of publication	Quasi-Isomeric Gallium Amides and Imides GaNR2 and RGaNR (R = Organic Group): Reactions of the Digallene, Ar'GaGaAr' (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) with Unsaturated Nitrogen Compounds
Authors of publication	Robert J. Wright; Marcin Brynda; James C. Fettinger; Audra R. Betzer; Philip P. Power
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	12498 - 12509
a	11.347 ± 0.003 Å
b	12.766 ± 0.004 Å
c	16.505 ± 0.004 Å
α	72.43 ± 0.004°
β	70.736 ± 0.004°
γ	66.315 ± 0.004°
Cell volume	2026.8 ± 1 Å³
Cell temperature	91 ± 2 K
Ambient diffraction temperature	91 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1042
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1157
Weighted residual factors for all reflections included in the refinement	0.1297
Goodness-of-fit parameter for all reflections included in the refinement	0.962
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
178879 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/08.	4110894.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110894.cif
59901	2012-06-14	cif/ Adding structures of 4110894 via cif-deposit CGI script.	4110894.cif