Crystallography Open Database

Information card for entry 4110896

Preview

Coordinates	4110896.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Dipp*GaNAr)2
Formula	C88 H104 Ga2 N2
Calculated formula	C88 H104 Ga2 N2
SMILES	c1(c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[Ga]1N(c2ccc(cc2)C)N(c2ccc(cc2)C)[Ga]1c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.c1(ccccc1)C.c1(ccccc1)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	25.919 ± 0.006 Å
b	14.966 ± 0.003 Å
c	22.663 ± 0.005 Å
α	90°
β	123.089 ± 0.003°
γ	90°
Cell volume	7365 ± 3 Å³
Cell temperature	91 ± 2 K
Ambient diffraction temperature	91 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0919
Weighted residual factors for all reflections included in the refinement	0.1063
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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.	4110896.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110896.cif
59903	2012-06-14	cif/ Adding structures of 4110896 via cif-deposit CGI script.	4110896.cif