Information card for entry 4332210

Structure parameters

• Formula: C25 H37 N P Rh S
• Calculated formula: C25 H37 N P Rh S
• SMILES: [Rh]1234([S]=P(C51C(=Cc1ccccc51)N(C)C)(C(C)C)C(C)C)[CH]1=[CH]2CC[CH]3=[CH]4CC1
• Title of publication: Rh(I) and Ir(I) Derivatives of a P(S),N-Substituted Indene Ligand: Synthetic, Structural, and Catalytic Alkene Hydrosilylation Studies
• Authors of publication: Wechsler, Dominik; Myers, Anne; McDonald, Robert; Ferguson, Michael J.; Stradiotto, Mark
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4562 - 4570
• a: 10.1379 ± 0.0007 Å
• b: 12.4282 ± 0.0008 Å
• c: 18.8478 ± 0.0013 Å
• α: 90°
• β: 93.7628 ± 0.0011°
• γ: 90°
• Cell volume: 2369.6 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0349
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No