Crystallography Open Database

Information card for entry 4075180

Preview

Coordinates	4075180.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H33 Cl2 N3 Ru
Calculated formula	C31 H33 Cl2 N3 Ru
SMILES	C1(N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=[Ru]1(=Cc2cccc3ccc[n]1c23)(Cl)Cl
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	28.1947 ± 0.0002 Å
b	17.6289 ± 0.0006 Å
c	16.2675 ± 0.0009 Å
α	90°
β	123.864 ± 0.002°
γ	90°
Cell volume	6714 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0496
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0908
Weighted residual factors for all reflections included in the refinement	0.0942
Goodness-of-fit parameter for all reflections included in the refinement	1
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.	4075180.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075180.cif
49104	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075179, 4075180 via cif-deposit CGI script.	4075180.cif