Information card for entry 7012386

Structure parameters

• Common name: 7
• Formula: C37 H39 F6 O P3 Ru
• Calculated formula: C37 H39 F6 O P3 Ru
• SMILES: [Ru]1234([P](C=C)(c5ccccc5)c5ccccc5)([P](C=C)(c5ccccc5)c5ccccc5)([c]5([cH]4[cH]3[cH]2[cH]15)C)=C(C)OC.[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: 13.6771 ± 0.0019 Å
• b: 13.6771 ± 0.0019 Å
• c: 39.271 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7346 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.1151
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No