Crystallography Open Database

Information card for entry 4083172

Preview

Coordinates	4083172.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 Ru
Calculated formula	C18 H22 Ru
SMILES	[Ru]12345678([c]9%10[c]1([cH]2[cH]3[cH]49)CCCC%10)[c]12[cH]8[cH]7[cH]6[c]51CCCC2
Title of publication	Adsorption of Ruthenium and Iron Metallocenes on Silica: A Solid-State NMR Study
Authors of publication	Cluff, Kyle J.; Bhuvanesh, Nattamai; Blümel, Janet
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	11
Pages of publication	2671
a	12.3717 ± 0.0014 Å
b	6.5709 ± 0.0007 Å
c	17.5678 ± 0.0019 Å
α	90°
β	96.262 ± 0.006°
γ	90°
Cell volume	1419.6 ± 0.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	3
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.021
Residual factor for significantly intense reflections	0.0209
Weighted residual factors for significantly intense reflections	0.0514
Weighted residual factors for all reflections included in the refinement	0.0514
Goodness-of-fit parameter for all reflections included in the refinement	1.12
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178720 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/31.	4083172.cif
119260	2014-07-05	cif/ Updating files of 4083172 Original log message: Adding full bibliography for 4083172.cif.	4083172.cif
113035	2014-05-08	cif/ Adding structures of 4083172 via cif-deposit CGI script.	4083172.cif