Crystallography Open Database

Information card for entry 4070981

Preview

Coordinates	4070981.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H42 Cl6 N2 Ru S
Calculated formula	C33 H42 Cl6 N2 Ru S
SMILES	[Ru]1(Cl)(Cl)([S](c2ccccc2C=1)C(C)C)=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.C(Cl)Cl.C(Cl)Cl
Title of publication	A Thermally Switchable Latent Ruthenium Olefin Metathesis Catalyst
Authors of publication	Ben-Asuly, Amos; Tzur, Eyal; Diesendruck, Charles E.; Sigalov, Mark; Goldberg, Israel; Lemcoff, N. Gabriel
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	5
Pages of publication	811
a	48.6971 ± 0.0012 Å
b	21.1349 ± 0.0006 Å
c	15.3763 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	15825.4 ± 0.8 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.1073
Residual factor for significantly intense reflections	0.0662
Weighted residual factors for significantly intense reflections	0.1583
Weighted residual factors for all reflections included in the refinement	0.1838
Goodness-of-fit parameter for all reflections included in the refinement	0.98
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
178598 (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 4/07/09.	4070981.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070981.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070981.cif
42948	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070981 via cif-deposit CGI script.	4070981.cif