Information card for entry 7019549

Structure parameters

• Formula: C19 H8 N2 O9 Ru3
• Calculated formula: C19 H8 N2 O9 Ru3
• SMILES: c12c3ccc[n]1[Ru]14(C#[O])(C#[O])(C#[O])[H][Ru]24(C#[O])(C#[O])([n]2c3cccc2)[Ru]1(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Reactions of phthalazine, quinazoline, 4,7-phenanthroline and 2,3'-bipyridine with ruthenium carbonyl.
• Authors of publication: Cabeza, Javier A.; Pruneda, Vanessa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 24
• Pages of publication: 7249 - 7257
• a: 9.158 Å
• b: 13.1298 ± 0.0001 Å
• c: 18.1893 ± 0.0001 Å
• α: 90°
• β: 91.751 ± 0.001°
• γ: 90°
• Cell volume: 2186.11 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No