Information card for entry 4078395

Structure parameters

• Formula: C27 H36 B F4 O P Ru
• Calculated formula: C27 H36 B F4 O P Ru
• SMILES: [RuH]123456([P](c7ccccc7)(c7ccccc7)CC[O]6C)[c]6([c]1([c]2([c]3([c]4([c]56C)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: 11.714 ± 0.003 Å
• b: 13.097 ± 0.003 Å
• c: 18.019 ± 0.003 Å
• α: 90°
• β: 108.03 ± 0.01°
• γ: 90°
• Cell volume: 2628.7 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections: 0.1178
• Weighted residual factors for significantly intense reflections: 0.1053
• Goodness-of-fit parameter for all reflections: 1.668
• Goodness-of-fit parameter for significantly intense reflections: 1.652
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No