Information card for entry 7012384

Structure parameters

• Common name: 4
• Formula: C36 H36 F6 N P3 Ru
• Calculated formula: C36 H36 F6 N P3 Ru
• SMILES: [Ru]1234([P](C=C)(c5ccccc5)c5ccccc5)([P](C=C)(c5ccccc5)c5ccccc5)([N]#CC)[c]5([cH]1[cH]2[cH]3[cH]45)C.[P](F)(F)(F)(F)(F)[F-]
• 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: 13.5787 ± 0.001 Å
• b: 13.166 ± 0.004 Å
• c: 20.392 ± 0.002 Å
• α: 90°
• β: 97.63 ± 0.008°
• γ: 90°
• Cell volume: 3613.3 ± 1.2 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: 0.0972
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1457
• 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