Crystallography Open Database

Information card for entry 4342146

Preview

Coordinates	4342146.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H74 Ga2 N6
Calculated formula	C59 H74 Ga2 N6
Title of publication	Insertion of benzonitrile into Al-N and ga-N bonds: formation of fused carbatriaza-gallanes/alanes and their subsequent synthesis from amidines and trimethyl-gallium/aluminum.
Authors of publication	Maheswari, K.; Rao, A. Ramakrishna; Reddy, N. Dastagiri
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	4
Pages of publication	2000 - 2008
a	11.8841 ± 0.0007 Å
b	13.1349 ± 0.0011 Å
c	19.4386 ± 0.0016 Å
α	97.568 ± 0.007°
β	101.971 ± 0.006°
γ	111.337 ± 0.007°
Cell volume	2692.4 ± 0.4 Å³
Cell temperature	150 ± 0.14 K
Ambient diffraction temperature	150 ± 0.14 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	0.1257
Residual factor for significantly intense reflections	0.0714
Weighted residual factors for significantly intense reflections	0.1564
Weighted residual factors for all reflections included in the refinement	0.1923
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179524 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/21.	4342146.cif
132780	2015-03-04	cif/ Updating files of 4342142, 4342143, 4342144, 4342145, 4342146, 4342147, 4342148, 4342149, 4342150 Original log message: Adding full bibliography for 4342142--4342150.cif.	4342146.cif
130387	2015-02-04	cif/ Adding structures of 4342142, 4342143, 4342144, 4342145, 4342146, 4342147, 4342148, 4342149, 4342150 via cif-deposit CGI script.	4342146.cif