Crystallography Open Database

Information card for entry 4066672

Preview

Coordinates	4066672.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	unimc07
Formula	C21 H18 Br F3 O7 Ru2 S
Calculated formula	C21 H18 Br F3 O7 Ru2 S
Title of publication	Syntheses and Characterization of Ruthenium Complexes Containing a Doubly Linked Dicyclopentadienyl Ligand and Acetonitrile Ligands
Authors of publication	Chin, Robert M.; Simonson, Andrew; Mauldin, Joshua; Criswell, Jared; Brennessel, William
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	17
Pages of publication	3868
a	13.4275 ± 0.0019 Å
b	13.843 ± 0.002 Å
c	15.539 ± 0.002 Å
α	72.481 ± 0.003°
β	74.723 ± 0.002°
γ	75.042 ± 0.003°
Cell volume	2606.4 ± 0.6 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1019
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1254
Weighted residual factors for all reflections included in the refinement	0.1402
Goodness-of-fit parameter for all reflections included in the refinement	0.954
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
178558 (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 4/06/66.	4066672.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066672.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066672.cif
33955	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066672, 4066673, 4066674, 4066675 via cif-deposit CGI script.	4066672.cif