Crystallography Open Database

Information card for entry 4339525

Preview

Coordinates	4339525.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Ru(Phen)2(Bpy-COO)](ClO4)(H2O)7
Chemical name	[Ru(Phen)2(Bpy-COO)](ClO4)(H2O)7
Formula	C72 H50 Cl2 N12 O24 Ru2
Calculated formula	C72 H50 Cl2 N12 O24 Ru2
Title of publication	Synthesis, structure, spectroscopic properties, and electrochemical oxidation of ruthenium(II) complexes Incorporating monocarboxylate bipyridine ligands.
Authors of publication	Nickita, Nickita; Belousoff, Matthew J.; Bhatt, Anand I.; Bond, Alan M.; Deacon, Glen B.; Gasser, Gilles; Spiccia, Leone
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	21
Pages of publication	8638 - 8651
a	18.7207 ± 0.0007 Å
b	19.7328 ± 0.0009 Å
c	20.2842 ± 0.001 Å
α	90°
β	93.771 ± 0.002°
γ	90°
Cell volume	7477 ± 0.6 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 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	0.0702
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.141
Weighted residual factors for all reflections included in the refinement	0.1439
Goodness-of-fit parameter for all reflections included in the refinement	1.187
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179498 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/95.	4339525.cif
117364	2014-06-14	cif/ Adding structures of 4339524, 4339525 via cif-deposit CGI script.	4339525.cif