Crystallography Open Database

Information card for entry 4331139

Preview

Coordinates	4331139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47.99 H45.68 Cl1.3 F9 Ga N10 O0.17 P1.5
Calculated formula	C47.9855 H45.683 Cl1.299 F9 Ga N10 O0.1715 P1.5
Title of publication	Electronic Communication Across Diamagnetic Metal Bridges: A Homoleptic Gallium(III) Complex of a Redox-Active Diarylamido-Based Ligand and Its Oxidized Derivatives
Authors of publication	Brendan J. Liddle; Sarath Wanniarachchi; Jeewantha S. Hewage; Sergey V. Lindeman; Brian Bennett; James R. Gardinier
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	12720 - 12728
a	17.6021 ± 0.0003 Å
b	24.6732 ± 0.0003 Å
c	23.2482 ± 0.0004 Å
α	90°
β	108.099 ± 0.0018°
γ	90°
Cell volume	9597.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0731
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1067
Weighted residual factors for all reflections included in the refinement	0.1163
Goodness-of-fit parameter for all reflections included in the refinement	0.914
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4331139.cif
80602	2013-04-08	cif/ Adding structures of 4331139 via cif-deposit CGI script.	4331139.cif