Crystallography Open Database

Information card for entry 4075179

Preview

Coordinates	4075179.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H39 Cl2 N3 Ru
Calculated formula	C37 H39 Cl2 N3 Ru
SMILES	[Ru]1(Cl)(Cl)([n]2cccc3cccc(C=1)c23)=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.c1ccccc1
Title of publication	Structure and Activity Peculiarities of Ruthenium Quinoline and Quinoxaline Complexes: Novel Metathesis Catalysts
Authors of publication	Barbasiewicz, Michał; Szadkowska, Anna; Bujok, Robert; Grela, Karol
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	15
Pages of publication	3599
a	9.5564 ± 0.0004 Å
b	10.2328 ± 0.0004 Å
c	18.3284 ± 0.0007 Å
α	99.718 ± 0.003°
β	103.196 ± 0.003°
γ	90.296 ± 0.003°
Cell volume	1718.16 ± 0.12 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1076
Weighted residual factors for all reflections included in the refinement	0.129
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
178640 (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 4/07/51.	4075179.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075179.cif
49104	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075179, 4075180 via cif-deposit CGI script.	4075179.cif