Information card for entry 4076807

Structure parameters

• Formula: C43 H36 B Cl3 F24 P2 Ru Si
• Calculated formula: C43 H36 B Cl3 F24 P2 Ru Si
• SMILES: [Ru]12345([Si]([H]1)(Cl)(Cl)Cl)([P](C)(C)C)([P](C)(C)C)[cH]1[cH]2[cH]3[cH]4[cH]51.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: [Cp(PMe3)2Ru(η2-HSiCl3)]+: Structure and Bonding of a Rare Cationic η2-Silane Complex
• Authors of publication: Freeman, Samuel T. N.; Lemke, Frederick R.; Brammer, Lee
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 10
• Pages of publication: 2030
• a: 12.668 ± 0.005 Å
• b: 26.906 ± 0.01 Å
• c: 14.881 ± 0.006 Å
• α: 90°
• β: 98.648 ± 0.019°
• γ: 90°
• Cell volume: 5014 ± 3 ų
• Cell temperature: 203 ± 5 K
• Ambient diffraction temperature: 203 ± 5 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.253
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No