Crystallography Open Database

Information card for entry 7006807

Preview

Coordinates	7006807.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Ru(h6-cymene)(2-benzoylpyridine)Cl)PF6
Formula	C23 H23 Cl F6 N O2 P Ru
Calculated formula	C23 H23 Cl F6 N O2 P Ru
Title of publication	Aggregation tendency and reactivity toward AgX of cationic half-sandwich ruthenium(II) complexes bearing neutral N,O-ligands.
Authors of publication	Zuccaccia, Daniele; Bellachioma, Gianfranco; Cardaci, Giuseppe; Zuccaccia, Cristiano; Macchioni, Alceo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	16
Pages of publication	1963 - 1971
a	30.0777 ± 0.0018 Å
b	9.1795 ± 0.0005 Å
c	22.093 ± 0.0012 Å
α	90°
β	121.318 ± 0.006°
γ	90°
Cell volume	5211.1 ± 0.6 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.059
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.1005
Weighted residual factors for all reflections included in the refinement	0.1079
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
179772 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/68.	7006807.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006807.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006807.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006807.cif