Information card for entry 7003011

Structure parameters

• Formula: C37 H47 O P Ru Si
• Calculated formula: C37 H47 O P Ru Si
• SMILES: [RuH2]12345([P](C6=C(O[Si]1(c1ccccc1)c1ccccc1)Cc1c6cccc1)(C(C)C)C(C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Exploring the reactivity of a coordinatively unsaturated Cp*Ru(kappa(2)-P,O) complex with small molecule substrates: application in E-H bond activation (E = H, B, and Si).
• Authors of publication: Rankin, Matthew A; Hesp, Kevin D; Schatte, Gabriele; McDonald, Robert; Stradiotto, Mark
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2009
• Journal issue: 24
• Pages of publication: 4756 - 4765
• a: 13.0305 ± 0.0012 Å
• b: 14.5399 ± 0.0013 Å
• c: 17.6901 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3351.6 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No