Crystallography Open Database

Information card for entry 1504708

Preview

Coordinates	1504708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H40 Cl2 N2 O Ru
Calculated formula	C35 H40 Cl2 N2 O Ru
SMILES	[Ru]1(Cl)(Cl)([O](c2c(C=1)cccc2)C(C)C)=C1N(C(C(N1c1ccccc1)(C)C)(C)C)c1ccccc1.c1ccccc1
Title of publication	Olefin metathesis catalyst: stabilization effect of backbone substitutions of N-heterocyclic carbene.
Authors of publication	Chung, Cheol K.; Grubbs, Robert H.
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	13
Pages of publication	2693 - 2696
a	10.3243 ± 0.0004 Å
b	12.2628 ± 0.0005 Å
c	12.8923 ± 0.0005 Å
α	78.583 ± 0.001°
β	81.942 ± 0.001°
γ	88.404 ± 0.001°
Cell volume	1584.13 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0759
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.0769
Weighted residual factors for all reflections included in the refinement	0.0829
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1504708.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504708.cif
42303	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504708, 1504709 via cif-deposit CGI script.	1504708.cif