Information card for entry 7017786

Structure parameters

• Formula: C12 H10 O3 Ru
• Calculated formula: C12 H10 O3 Ru
• SMILES: [Ru]123(C#[O])(C#[O])(C#[O])[C]4(=[CH]1C=CC=C[CH]2=[CH]34)C
• Title of publication: Ru cyclooctatetraene precursors for MOCVD.
• Authors of publication: Ando, Tatsuya; Nakata, Naoki; Suzuki, Kazuharu; Matsumoto, Takahiro; Ogo, Seiji
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 6
• Pages of publication: 1678 - 1682
• a: 12.59 ± 0.004 Å
• b: 7.098 ± 0.002 Å
• c: 13.565 ± 0.005 Å
• α: 90°
• β: 110.359 ± 0.005°
• γ: 90°
• Cell volume: 1136.5 ± 0.6 ų
• Cell temperature: 123.2 K
• Ambient diffraction temperature: 123.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for all reflections included in the refinement: 0.0523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No