Crystallography Open Database

Information card for entry 4309555

Preview

Coordinates	4309555.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 O9 Ru
Calculated formula	C18 H15 O9 Ru
Title of publication	Tris(pyronato)- and Tris(pyridonato)-ruthenium(III) Complexes and Solution NMR Studies
Authors of publication	David C. Kennedy; Adam Wu; Brian O. Patrick; Brian R. James
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	6529 - 6535
a	17.017 ± 0.003 Å
b	11.686 ± 0.0008 Å
c	18.6414 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	3707 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0945
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.106
Weighted residual factors for all reflections included in the refinement	0.1201
Goodness-of-fit parameter for all reflections included in the refinement	0.82
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179133 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/95.	4309555.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309555.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309555.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309555.cif