Information card for entry 4078394

Structure parameters

• Formula: C30 H39 B F4 N O2 P Ru
• Calculated formula: C30 H39 B F4 N O2 P Ru
• SMILES: [RuH]12345([P](CC6OCCO6)(c6ccccc6)c6ccccc6)([N]#CC)[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: 9.883 ± 0.003 Å
• b: 12.773 ± 0.003 Å
• c: 12.924 ± 0.003 Å
• α: 76.65 ± 0.02°
• β: 69.51 ± 0.02°
• γ: 87.7 ± 0.02°
• Cell volume: 1485.5 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for all reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.0812
• Goodness-of-fit parameter for all reflections: 1.666
• Goodness-of-fit parameter for significantly intense reflections: 1.641
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No