Information card for entry 4075683

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 ų
• 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 Fobs: No