Information card for entry 7018759

Structure parameters

• Formula: C17 H12 N2 O9 Ru3
• Calculated formula: C17 H12 N2 O9 Ru3
• SMILES: [C]123=C(C)N(C(C(C)=[N]1[Ru]1(C#[O])(C#[O])(C#[O])[Ru]42(C#[O])(C#[O])(C#[O])[Ru]31(C#[O])(C#[O])(C#[O])[H]4)=C)C
• Title of publication: Deprotonation of C-alkyl groups of cationic N-heterocyclic ligands.
• Authors of publication: Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Pruneda, Vanessa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 15
• Pages of publication: 4313 - 4315
• a: 9.8219 ± 0.0002 Å
• b: 10.5531 ± 0.0002 Å
• c: 12.9125 ± 0.0003 Å
• α: 67.189 ± 0.002°
• β: 78.126 ± 0.002°
• γ: 66.617 ± 0.002°
• Cell volume: 1130.27 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No