Crystallography Open Database

Information card for entry 4075172

Preview

Coordinates	4075172.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H31 Cl3 N2 Ru
Calculated formula	C25 H31 Cl3 N2 Ru
SMILES	ClCCl.[Ru]123456(Cl)([c]7([cH]1[cH]2[c]3([cH]4[cH]57)C(C)C)C)C=CN1C=CN(C=61)c1c(cc(cc1C)C)C
Title of publication	A Bidentate NHC−Alkenyl Ruthenium(II) Complex via Vinyl C−H Bond Activation
Authors of publication	Cariou, Renan; Fischmeister, Cédric; Toupet, Loïc; Dixneuf, Pierre H.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	9
Pages of publication	2126
a	10.8165 ± 0.0005 Å
b	17.403 ± 0.0006 Å
c	13.4365 ± 0.0008 Å
α	90°
β	90.181 ± 0.003°
γ	90°
Cell volume	2529.3 ± 0.2 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0754
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1552
Weighted residual factors for all reflections included in the refinement	0.1708
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178640 (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 4/07/51.	4075172.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075172.cif
49097	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075172 via cif-deposit CGI script.	4075172.cif