Crystallography Open Database

Information card for entry 4069687

Preview

Coordinates	4069687.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H34 B Cl2 F4 N2 P Ru S
Calculated formula	C30 H32 B0.998 F3.992 N2 P Ru S
Title of publication	Chelating NHC Ruthenium(II) Complexes as Robust Homogeneous Hydrogenation Catalysts
Authors of publication	Gandolfi, Claudio; Heckenroth, Marion; Neels, Antonia; Laurenczy, Gábor; Albrecht, Martin
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	17
Pages of publication	5112
a	36.288 ± 0.003 Å
b	10.6994 ± 0.0006 Å
c	17.6923 ± 0.0013 Å
α	90°
β	110.377 ± 0.006°
γ	90°
Cell volume	6439.3 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	9
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	0.1048
Residual factor for significantly intense reflections	0.0887
Weighted residual factors for significantly intense reflections	0.231
Weighted residual factors for all reflections included in the refinement	0.2381
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
178585 (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 4/06/96.	4069687.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069687.cif
40390	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069686, 4069687, 4069688, 4069689 via cif-deposit CGI script.	4069687.cif