Crystallography Open Database

Information card for entry 4072147

Preview

Coordinates	4072147.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34.5 H49 Cl4 N4 O2 P Ru
Calculated formula	C34.5 H49 Cl4 N4 O2 P Ru
Title of publication	Neutral Ruthenium Carbene Complexes bearing N,N,O Heteroscorpionate Ligands: Syntheses and Activity in Metathesis Reactions
Authors of publication	Kopf, Henning; Holzberger, Bastian; Pietraszuk, Cezary; Hübner, Eike; Burzlaff, Nicolai
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	22
Pages of publication	5894
a	15.35 ± 0.003 Å
b	10.613 ± 0.002 Å
c	25.671 ± 0.005 Å
α	90°
β	98.78 ± 0.03°
γ	90°
Cell volume	4133 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.1185
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1719
Weighted residual factors for all reflections included in the refinement	0.1955
Goodness-of-fit parameter for all reflections included in the refinement	0.978
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4072147.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072147.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072147.cif
44263	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072146, 4072147, 4072148, 4072149 via cif-deposit CGI script.	4072147.cif