Information card for entry 7007122

Structure parameters

• Formula: C18 H10 N2 O10 Ru3
• Calculated formula: C18 H10 N2 O10 Ru3
• SMILES: [Ru]123([Ru]4([Ru]1(C#[O])(C#[O])(C#[O])[N]1=C([NH]24)OC[C@H]1c1ccccc1)(C#[O])(C#[O])(C#[O])[H]3)(C#[O])(C#[O])C#[O]
• Title of publication: Triruthenium carbonyl clusters derived from chiral aminooxazolines: synthesis and catalytic activity.
• Authors of publication: Cabeza, Javier A.; da Silva, Iván; del Río, Ignacio; Gossage, Robert A.; Miguel, Daniel; Suárez, Marta
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 20
• Pages of publication: 2450 - 2455
• a: 8.579 ± 0.003 Å
• b: 13.436 ± 0.006 Å
• c: 19.87 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2290.4 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0248
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No