Crystallography Open Database

Information card for entry 4068455

Preview

Coordinates	4068455.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52.8 H49.4 B2 Cl0.6 F8 O9.4 P2 Ru
Calculated formula	C52.8 H43 B2 Cl0.6 F8 O9.4 P2 Ru
Title of publication	Stable Cationic and Neutral Ruthenabenzenes
Authors of publication	Clark, George R.; O’Neale, Tamsin R.; Roper, Warren R.; Tonei, Deborah M.; Wright, L. James
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	2
Pages of publication	567
a	12.3483 ± 0.0001 Å
b	13.855 ± 0.0001 Å
c	18.1837 ± 0.0001 Å
α	71.44 ± 0.001°
β	85.15 ± 0.001°
γ	71.036 ± 0.001°
Cell volume	2788.48 ± 0.04 Å³
Cell temperature	86 ± 2 K
Ambient diffraction temperature	86 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0897
Residual factor for significantly intense reflections	0.0714
Weighted residual factors for significantly intense reflections	0.1898
Weighted residual factors for all reflections included in the refinement	0.2051
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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.	4068455.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068455.cif
39774	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068454, 4068455, 4068456 via cif-deposit CGI script.	4068455.cif