Crystallography Open Database

Information card for entry 1556324

Preview

Coordinates	1556324.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H54 Cl4 N2 O3 Ru
Calculated formula	C40 H54 Cl4 N2 O3 Ru
SMILES	[Ru]1(Cl)(Cl)(=C2N(CCN2c2c(cccc2C(C)C)C(C)C)c2c(C(C)C)cccc2C(C)C)=Cc2c(C(=[O]1)OC(C)C)ccc(c2)OC.ClCCl
Title of publication	A latent ruthenium based olefin metathesis catalyst with a sterically demanding NHC ligand
Authors of publication	Leitgeb, Anita; Abbas, Mudassar; Fischer, Roland C.; Poater, Albert; Cavallo, Luigi; Slugovc, Christian
Journal of publication	Catalysis Science & Technology
Year of publication	2012
Journal volume	2
Journal issue	8
Pages of publication	1640
a	20.5265 ± 0.0009 Å
b	13.4139 ± 0.0009 Å
c	29.7267 ± 0.0015 Å
α	90°
β	91.812 ± 0.002°
γ	90°
Cell volume	8180.9 ± 0.8 Å³
Cell temperature	116 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0468
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0608
Weighted residual factors for all reflections included in the refinement	0.0706
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation probe	x-ray
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
244214 (current)	2019-11-28	cif/ Adding structures of 1556324 via cif-deposit CGI script.	1556324.cif