Crystallography Open Database

Information card for entry 4075683

Preview

Coordinates	4075683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 N2 O8 Ru3
Calculated formula	C16 H14 N2 O8 Ru3
SMILES	C[N]1(C)[NH]2[Ru]345([C]6(=[CH](C)[Ru]7246(C(=O)[Ru]157(C3=O)(C#[O])C#[O])(C#[O])C#[O])C#CC)(C#[O])C#[O]
Title of publication	η2-Edge-Bridging and η3-Face-Capping Coordination of Conjugated Ynenyl Ligands in Triruthenium Carbonyl Cluster Complexes Derived from 1,1-Dimethylhydrazine
Authors of publication	Cabeza, Javier A.; del Río, Ignacio; García-Granda, Santiago; Martínez-Méndez, Lorena; Pérez-Carreño, Enrique
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	5
Pages of publication	831
a	9.5729 ± 0.0003 Å
b	13.1585 ± 0.0005 Å
c	17.0702 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2150.25 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0528
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1048
Weighted residual factors for all reflections included in the refinement	0.1081
Goodness-of-fit parameter for all reflections included in the refinement	0.935
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.