Crystallography Open Database

Information card for entry 4070863

Preview

Coordinates	4070863.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[(eta6-benzene)Ru(eta5-C5Me4CH2OCH3)]Cl
Formula	C17 H26 Cl2 O2 Ru
Calculated formula	C17 H26 Cl2 O2 Ru
Title of publication	[(η5-C5Me4CH2R)Ru(η6-arene)]+and [(η5-C5Me4CH2R)Ru(CH3CN)3]+Compounds Possessing Pendant Arms
Authors of publication	Fairchild, Robert M.; Holman, K. Travis
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	8
Pages of publication	1823
a	21.1522 ± 0.0007 Å
b	21.1522 ± 0.0007 Å
c	8.4509 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3781.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0616
Weighted residual factors for all reflections included in the refinement	0.0676
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
178597 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/08.	4070863.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070863.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070863.cif
42794	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070863 via cif-deposit CGI script.	4070863.cif