Crystallography Open Database

Information card for entry 4108736

Preview

Coordinates	4108736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H42 B F24 I O4 Ru2
Calculated formula	C56 H42 B F24 I O4 Ru2
Title of publication	Cationic Terminal Gallylene Complexes by Halide Abstraction: Coordination Chemistry of a Valence Isoelectronic Analogue of CO and N2
Authors of publication	Natalie D. Coombs; Dragoslav Vidovic; Joanna K. Day; Amber L. Thompson; Delphine D. Le Pevelen; Andreas Stasch; William Clegg; Luca Russo; Louise Male; Michael B. Hursthouse; David J. Willock; Simon Aldridge
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	16111 - 16124
a	17.2428 ± 0.0001 Å
b	22.0385 ± 0.0001 Å
c	35.3168 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	13420.6 ± 0.15 Å³
Cell temperature	210 K
Ambient diffraction temperature	210 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.114
Residual factor for significantly intense reflections	0.0991
Weighted residual factors for all reflections	0.3593
Weighted residual factors for significantly intense reflections	0.3445
Weighted residual factors for all reflections included in the refinement	0.3593
Goodness-of-fit parameter for all reflections included in the refinement	0.923
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
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.	4108736.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108736.cif
57104	2012-05-16	cif/ Adding structures of 4108736 via cif-deposit CGI script.	4108736.cif