Information card for entry 7026784

Structure parameters

• Formula: C29 H22 N0 O4 Ru2
• Calculated formula: C29 H22 O4 Ru2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Ru]16782345C(=O)[Ru]23458([cH]8[cH]5[cH]4[cH]3[cH]28)(C#[O])[CH]1=[C]16C7C(=O)OC1(c1ccccc1)c1ccccc1
• Title of publication: Cationic diiron and diruthenium μ-allenyl complexes: synthesis, X-ray structures and cyclization reactions with ethyldiazoacetate/amine affording unprecedented butenolide- and furaniminium-substituted bridging carbene ligands.
• Authors of publication: Boni, Adriano; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 45
• Pages of publication: 10866 - 10875
• a: 10.5647 ± 0.0009 Å
• b: 14.6934 ± 0.0013 Å
• c: 16.2336 ± 0.0014 Å
• α: 90°
• β: 105.406 ± 0.001°
• γ: 90°
• Cell volume: 2429.4 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0252
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No