Crystallography Open Database

Information card for entry 4310411

Preview

Coordinates	4310411.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 N2 O6 Ru
Calculated formula	C18 H18 N2 O6 Ru
SMILES	[Ru]1(C#[O])(C#[O])(OC(=O)C)(OC(=O)C)[n]2c(ccc(C)c2)c2[n]1cc(cc2)C
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	9.2447 ± 0.0008 Å
b	12.256 ± 0.001 Å
c	16.403 ± 0.001 Å
α	99.362 ± 0.001°
β	98.224 ± 0.001°
γ	90.164 ± 0.001°
Cell volume	1814.2 ± 0.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.12
Residual factor for significantly intense reflections	0.056
Weighted residual factors for all reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.053
Goodness-of-fit parameter for all reflections	1.087
Goodness-of-fit parameter for all reflections included in the refinement	1.147
Diffraction radiation wavelength	0.7107 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.	4310411.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310411.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310411.cif
1899	2010-11-07	../uploads/cif-deposit/cod/cif Adding structures of 4310411 via cif-deposit CGI script.	4310411.cif