Crystallography Open Database

Information card for entry 1565712

Preview

Coordinates	1565712.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H26 N4 O4 Ru
Calculated formula	C26 H26 N4 O4 Ru
Title of publication	An insight into the redox activity of Ru and Os complexes of the N,N′-bis(2-pyridyl)benzene-1,2-diamine ligand: Structural, electrochemical and electronic structure analysis by density functional theory calculations
Authors of publication	Deka, Rajesh; Junk, Peter C.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	499
Pages of publication	119193
a	10.6783 ± 0.0002 Å
b	10.6783 ± 0.0002 Å
c	37.8191 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	3734.62 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	169
Hermann-Mauguin space group symbol	P 61
Hall space group symbol	P 61
Residual factor for all reflections	0.0305
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0721
Weighted residual factors for all reflections included in the refinement	0.0727
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
271366 (current)	2021-12-13	cif/ Adding structures of 1565712, 1565713, 1565714 via cif-deposit CGI script.	1565712.cif