Crystallography Open Database

Information card for entry 4310410

Preview

Coordinates	4310410.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18.5 H19 Cl N2 O6 Ru
Calculated formula	C18.5 H19 Cl N2 O6 Ru
Title of publication	Carbonyl-Carboxylato-Ruthenium Complexes Incorporating Diimine Ligands and Unexpected Cyclometalation of Carboxylate Ligands
Authors of publication	Pauline Pearson; Christopher M. Kepert; Glen B. Deacon; Leone Spiccia; Andrew C. Warden; Brian W. Skelton; Allan H. White
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	683 - 691
a	15.792 ± 0.002 Å
b	17.579 ± 0.003 Å
c	7.915 ± 0.001 Å
α	90°
β	112.437 ± 0.003°
γ	90°
Cell volume	2030.9 ± 0.5 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
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	0.107
Residual factor for significantly intense reflections	0.052
Weighted residual factors for all reflections	0.054
Weighted residual factors for all reflections included in the refinement	0.048
Goodness-of-fit parameter for all reflections	1.095
Goodness-of-fit parameter for all reflections included in the refinement	1.253
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4310410.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310410.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310410.cif
1898	2010-11-07	../uploads/cif-deposit/cod/cif Adding structures of 4310410 via cif-deposit CGI script.	4310410.cif