Crystallography Open Database

Information card for entry 4110988

Preview

Coordinates	4110988.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H46 Cl2 N2 O5 Ru
Calculated formula	C36 H46 Cl2 N2 O5 Ru
Title of publication	Advanced Fine-Tuning of Grubbs/Hoveyda Olefin Metathesis Catalysts: A Further Step toward an Optimum Balance between Antinomic Properties
Authors of publication	Michał Bieniek; Robert Bujok; Maciej Cabaj; Noël Lugan; Guy Lavigne; Dieter Arlt; Karol Grela
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	13652 - 13653
a	13.6327 ± 0.0018 Å
b	10.4005 ± 0.0013 Å
c	26.417 ± 0.003 Å
α	90°
β	101.221 ± 0.011°
γ	90°
Cell volume	3674 ± 0.8 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.155
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.0806
Weighted residual factors for all reflections included in the refinement	0.1019
Goodness-of-fit parameter for all reflections included in the refinement	0.82
Diffraction radiation probe	x-ray
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
178880 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/09.	4110988.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110988.cif
60511	2012-06-15	cif/ Adding structures of 4110988 via cif-deposit CGI script.	4110988.cif