Crystallography Open Database

Information card for entry 4110895

Preview

Coordinates	4110895.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H63 Ga N2
Calculated formula	C50 H63 Ga N2
SMILES	[Ga]1([N](=Nc2c(cccc12)CC)c1c(CC)cccc1CC)(c1c(c2c(cccc2C(C)C)C(C)C)cccc1c1c(cccc1C(C)C)C(C)C)CC
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	12.8419 ± 0.0014 Å
b	10.8132 ± 0.0012 Å
c	31.065 ± 0.004 Å
α	90°
β	90.861 ± 0.003°
γ	90°
Cell volume	4313.3 ± 0.9 Å³
Cell temperature	91 ± 2 K
Ambient diffraction temperature	91 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0924
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.0946
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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.	4110895.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110895.cif
59902	2012-06-14	cif/ Adding structures of 4110895 via cif-deposit CGI script.	4110895.cif