Information card for entry 7012389

Structure parameters

• Common name: 12
• Formula: C8 H7 Br O2 Ru
• Calculated formula: C8 H7 Br O2 Ru
• SMILES: [Ru]1234(Br)([c]5([cH]4[cH]3[cH]2[cH]15)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: 6.959 ± 0.005 Å
• b: 7.662 ± 0.003 Å
• c: 9.871 ± 0.004 Å
• α: 91.84 ± 0.03°
• β: 93.86 ± 0.05°
• γ: 112.85 ± 0.04°
• Cell volume: 482.9 ± 0.5 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: 0.0686
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No