Crystallography Open Database

Information card for entry 4068965

Preview

Coordinates	4068965.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H62 Cl5 Cu N4 O Ru S
Calculated formula	C57 H62 Cl5 Cu N4 O Ru S
Title of publication	Ruthenium Olefin Metathesis Initiators Bearing Chelating Sulfoxide Ligands
Authors of publication	Szadkowska, Anna; Makal, Anna; Woźniak, Krzysztof; Kadyrov, Renat; Grela, Karol
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	9
Pages of publication	2693
a	12.7041 ± 0.0014 Å
b	13.6104 ± 0.0017 Å
c	16.3689 ± 0.0019 Å
α	99.461 ± 0.007°
β	96.358 ± 0.007°
γ	91.281 ± 0.006°
Cell volume	2772.3 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1348
Residual factor for significantly intense reflections	0.0734
Weighted residual factors for significantly intense reflections	0.1892
Weighted residual factors for all reflections included in the refinement	0.2272
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
178579 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/89.	4068965.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068965.cif
40067	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068965 via cif-deposit CGI script.	4068965.cif