Crystallography Open Database

Information card for entry 4310414

Preview

Coordinates	4310414.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30.3333 H28.3333 F6 N4 O6.3333 P Ru2
Calculated formula	C30.332 H27 F6 N4 O6.332 P Ru2
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	28.776 ± 0.0003 Å
b	28.776 ± 0.0003 Å
c	21.113 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	15140.5 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.095
Residual factor for significantly intense reflections	0.053
Weighted residual factors for all reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.075
Goodness-of-fit parameter for all reflections	1.041
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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.	4310414.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310414.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310414.cif
1902	2010-11-07	../uploads/cif-deposit/cod/cif Adding structures of 4310414 via cif-deposit CGI script.	4310414.cif