Information card for entry 4073591

Structure parameters

• Formula: C15 H38 Ir P3 Si
• Calculated formula: C15 H38 Ir P3 Si
• SMILES: [Ir]12([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[Si](C=C[CH]2=[CH2]1)(C)C
• Title of publication: Synthesis, Structure, and Spectroscopy of Silaallyl− and Silapentadienyl−Iridium−Phosphine Complexes1
• Authors of publication: Bleeke, John R.; Thananatthanachon, Todsapon; Rath, Nigam P.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 16
• Pages of publication: 3904
• a: 12.651 ± 0.0006 Å
• b: 13.0711 ± 0.0006 Å
• c: 13.2542 ± 0.0006 Å
• α: 90°
• β: 96.138 ± 0.002°
• γ: 90°
• Cell volume: 2179.18 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0184
• Residual factor for significantly intense reflections: 0.0173
• Weighted residual factors for significantly intense reflections: 0.0325
• Weighted residual factors for all reflections included in the refinement: 0.0328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No