Information card for entry 4077694

Structure parameters

• Formula: C27 H43 B P2 Ru Si
• Calculated formula: C27 H43 B P2 Ru Si
• SMILES: [Ru]12345([P](C)(C)C)([P](C)(C)C)([Si](C)(C)C)[c]6([cH]5[cH]4[cH]3[cH]2[cH]16)[BH](c1ccccc1)c1ccccc1
• Title of publication: Access to Unsaturated Ruthenium Complexes via Phosphine Complexation with Triphenylborane: Synthesis and Structure of a Zwitterionic Arene Complex, (η6-Ph-BPh2H)Ru(PMe3)2(SiMe3)
• Authors of publication: Dioumaev, Vladimir K.; Plössl, Karl; Carroll, Patrick J.; Berry, Donald H.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 17
• Pages of publication: 3374
• a: 12.3927 ± 0.0002 Å
• b: 9.7566 ± 0.0001 Å
• c: 24.2436 ± 0.0005 Å
• α: 90°
• β: 99.541 ± 0.001°
• γ: 90°
• Cell volume: 2890.76 ± 0.08 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 6
• 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: 0.0929
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for all reflections: 0.132
• Weighted residual factors for significantly intense reflections: 0.1248
• Goodness-of-fit parameter for all reflections: 1.229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.253
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No