Information card for entry 4332211

Structure parameters

• Formula: C25 H37 Ir N P S
• Calculated formula: C25 H37 Ir N P S
• SMILES: [Ir]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: 10.1288 ± 0.0005 Å
• b: 12.3895 ± 0.0007 Å
• c: 18.9271 ± 0.001 Å
• α: 90°
• β: 93.2465 ± 0.0008°
• γ: 90°
• Cell volume: 2371.4 ± 0.2 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: 0.031
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No