Information card for entry 7012391

Structure parameters

• Common name: 14
• Formula: C21 H20 Br O P Ru
• Calculated formula: C21 H20 Br O P Ru
• SMILES: [Ru]1234(Br)([P](C=C)(c5ccccc5)c5ccccc5)([c]5([cH]1[cH]2[cH]3[cH]45)C)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: 9.665 ± 0.002 Å
• b: 14.513 ± 0.004 Å
• c: 14.74 ± 0.003 Å
• α: 90°
• β: 104.747 ± 0.018°
• γ: 90°
• Cell volume: 1999.4 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1284
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No