Crystallography Open Database

Information card for entry 4070862

Preview

Coordinates	4070862.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[(eta6-acetophenone)Ru(eta5-C5Me4CH2OH)]PF6
Formula	C36 H46 F12 O4 P2 Ru2
Calculated formula	C36 H46 F12 O4 P2 Ru2
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	7.362 ± 0.0004 Å
b	12.5244 ± 0.0007 Å
c	21.2886 ± 0.0011 Å
α	90°
β	92.984 ± 0.001°
γ	90°
Cell volume	1960.25 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0798
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.0952
Weighted residual factors for all reflections included in the refinement	0.1042
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
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.	4070862.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070862.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070862.cif
42791	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070862 via cif-deposit CGI script.	4070862.cif