Crystallography Open Database

Information card for entry 4069709

Preview

Coordinates	4069709.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H49 Cl6 O P Ru2
Calculated formula	C30 H49 Cl6 O P Ru2
SMILES	[Ru]12([Cl][Ru]34567([Cl]1)([Cl]2)[c]1([cH]3[cH]4[c]5([cH]6[cH]71)C(C)C)C)(Cl)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)C#[O].ClCCl
Title of publication	Multifaceted Chemistry of [(Cymene)RuCl2]2and PCy3
Authors of publication	Solari, Euro; Gauthier, Sébastien; Scopelliti, Rosario; Severin, Kay
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	15
Pages of publication	4519
a	10.117 ± 0.015 Å
b	18.24 ± 0.03 Å
c	20.2 ± 0.02 Å
α	90°
β	100.04 ± 0.1°
γ	90°
Cell volume	3671 ± 9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.1735
Residual factor for significantly intense reflections	0.0923
Weighted residual factors for significantly intense reflections	0.1963
Weighted residual factors for all reflections included in the refinement	0.2398
Goodness-of-fit parameter for all reflections included in the refinement	1.159
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
178586 (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 4/06/97.	4069709.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069709.cif
40401	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069707, 4069708, 4069709, 4069710, 4069711, 4069712 via cif-deposit CGI script.	4069709.cif