Information card for entry 7018758

Structure parameters

• Formula: C16 H10 N2 O9 Ru3
• Calculated formula: C16 H10 N2 O9 Ru3
• SMILES: [C]123=CN(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: 9.8069 ± 0.0001 Å
• b: 16.2228 ± 0.0002 Å
• c: 27.3337 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4348.67 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No