Crystallography Open Database

Information card for entry 4114156

Preview

Coordinates	4114156.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H32 Ga2 N2
Calculated formula	C35 H32 Ga2 N2
SMILES	[Ga]1(n2[n]([Ga]([C]31=CC=CC=C3)(c1ccccc1)c1ccccc1)c(cc2C)C)(c1ccccc1)c1ccccc1
Title of publication	Synthesis, Structure, Bridge-Terminal Exchange Kinetics, and Molecular Orbital Calculations of Pyrazolate-Bridged Digallium Complexes Containing Bridging Phenyl Groups
Authors of publication	Chatu T. Sirimanne; John E. Knox; Mary Jane Heeg; H. Bernhard Schlegel; Charles H. Winter
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	11152 - 11153
a	8.8324 ± 0.0007 Å
b	11.2524 ± 0.001 Å
c	16.4861 ± 0.0015 Å
α	91.53 ± 0.002°
β	95.381 ± 0.002°
γ	111.921 ± 0.002°
Cell volume	1509.9 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0401
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0783
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
178912 (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 4/11/41.	4114156.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114156.cif
67439	2012-09-26	cif/ Adding structures of 4114156 via cif-deposit CGI script.	4114156.cif