Information card for entry 7019548

Structure parameters

• Formula: C32 H8 N2 O20 Ru6
• Calculated formula: C32 H8 N2 O20 Ru6
• SMILES: C(#[O])[Ru]1(C#[O])(C#[O])(C#[O])[Ru]23(C#[O])(C#[O])(C#[O])c4ccc5c6ccc7[n](c6ccc5[n]4[Ru]12(C#[O])(C#[O])(C#[O])[H]3)[Ru]12(C#[O])(C#[O])(C#[O])[H][Ru]27(C#[O])(C#[O])(C#[O])[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: 7.7728 ± 0.0003 Å
• b: 33.3854 ± 0.0012 Å
• c: 17.3761 ± 0.0006 Å
• α: 90°
• β: 98.649 ± 0.004°
• γ: 90°
• Cell volume: 4457.8 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1329
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2404
• Weighted residual factors for all reflections included in the refinement: 0.2627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No