Information card for entry 7019547

Structure parameters

• Formula: C53 H30 N8 O19 Ru6
• Calculated formula: C53 H30 N8 O19 Ru6
• SMILES: c1c2ccccc2c[n]2[n]1[Ru]134(C(=O)[Ru]53(C#[O])(C#[O])(C(=O)[Ru]245(C1=O)(C#[O])C#[O])[n]1cc2c(cn1)cccc2)(C#[O])C#[O].CC(=O)C
• 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: 12.9629 ± 0.0003 Å
• b: 14.4595 ± 0.0003 Å
• c: 15.7626 ± 0.0004 Å
• α: 79.663 ± 0.001°
• β: 88.872 ± 0.001°
• γ: 74.615 ± 0.001°
• Cell volume: 2801.17 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0435
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No