Crystallography Open Database

Information card for entry 1504709

Preview

Coordinates	1504709.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H36 Cl2 N2 O Ru
Calculated formula	C30 H36 Cl2 N2 O Ru
SMILES	[Ru]1(Cl)(Cl)([O](c2c(C=1)cccc2)C(C)C)=C1N(C(CN1c1c(cc(cc1C)C)C)(C)C)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	9.5479 ± 0.0003 Å
b	15.7574 ± 0.0005 Å
c	18.9019 ± 0.0006 Å
α	90°
β	97.127 ± 0.001°
γ	90°
Cell volume	2821.82 ± 0.15 Å³
Cell temperature	100 ± 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	0.0504
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.051
Weighted residual factors for all reflections included in the refinement	0.052
Goodness-of-fit parameter for all reflections included in the refinement	1.69
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.	1504709.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504709.cif
42303	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504708, 1504709 via cif-deposit CGI script.	1504709.cif