Information card for entry 7012390

Structure parameters

• Common name: 13
• Formula: C8 H7 I O2 Ru
• Calculated formula: C8 H7 I O2 Ru
• SMILES: [Ru]1234(I)([c]5([cH]1[cH]2[cH]3[cH]45)C)(C#[O])C#[O]
• Title of publication: Diphenylvinylphosphine (DPVP) complexes containing the (η5-MeC5H4)Ru(ii) moiety: synthesis, characterization and reactions
• Authors of publication: Duraczyńska, Dorota; Nelson, John H.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 3
• Pages of publication: 449 - 457
• a: 7.068 ± 0.0017 Å
• b: 7.538 ± 0.002 Å
• c: 10.2386 ± 0.0014 Å
• α: 92.931 ± 0.018°
• β: 96.106 ± 0.013°
• γ: 109.316 ± 0.019°
• Cell volume: 509.7 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0984
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.2023
• Weighted residual factors for all reflections included in the refinement: 0.2185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No