Information card for entry 4122651

Structure parameters

• Chemical name: Cp*(IXy)(H)2RuSnTrip
• Formula: C44 H60 N2 Ru Sn
• Calculated formula: C44 H58 N2 Ru Sn
• SMILES: C1(N(c2c(C)cccc2C)C=CN1c1c(C)cccc1C)=[Ru]1234([c]5([c]1(C)[c]2(C)[c]3([c]45C)C)C)[Sn]c1c(cc(cc1C(C)C)C(C)C)C(C)C
• Title of publication: 1,2-Hydrogen Migration to a Saturated Ruthenium Complex via Reversal of Electronic Properties for Tin in a Stannylene-to-Metallostannylene Conversion.
• Authors of publication: Liu, Hsueh-Ju; Guihaumé, Julie; Davin, Thomas; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 40
• Pages of publication: 13991
• a: 10.4244 ± 0.0007 Å
• b: 31.64 ± 0.002 Å
• c: 12.6878 ± 0.0008 Å
• α: 90°
• β: 107.884 ± 0.003°
• γ: 90°
• Cell volume: 3982.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0955
• Residual factor for significantly intense reflections: 0.0867
• Weighted residual factors for significantly intense reflections: 0.2038
• Weighted residual factors for all reflections included in the refinement: 0.2073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.235
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No