Information card for entry 4078392

Structure parameters

• Formula: C28 H56 B F4 O P Ru S2
• Calculated formula: C28 H36 B F4 O P Ru S2
• SMILES: [Ru]123456([P](CCOC)(c7ccccc7)c7ccccc7)([S]=CS1)[c]1([c]2([c]3([c]4([c]5([c]61C)C)C)C)C)C.[B](F)(F)(F)[F-]
• Title of publication: Behavior of (Ether−phosphine)ruthenium(II) Complexes [(η6-C6Me6)RuH(P⌒O)][BF4] Containing Reactive Ru−O and Ru−H Bonds toward Various Small Molecules and Their Application in Ring-Opening Metathesis Polymerization
• Authors of publication: Lindner, Ekkehard; Pautz, Stefan; Fawzi, Riad; Steimann, Manfred
• Journal of publication: Organometallics
• Year of publication: 1998
• Journal volume: 17
• Journal issue: 14
• Pages of publication: 3006
• a: 8.632 ± 0.002 Å
• b: 15.857 ± 0.004 Å
• c: 10.622 ± 0.003 Å
• α: 90°
• β: 96.38 ± 0.02°
• γ: 90°
• Cell volume: 1444.9 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0206
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for all reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.0552
• Goodness-of-fit parameter for all reflections: 0.939
• Goodness-of-fit parameter for significantly intense reflections: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No