Information card for entry 4071229

Structure parameters

• Formula: C18 H46 Ir P3 Si
• Calculated formula: C18 H46 Ir P3 Si
• SMILES: [IrH]([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)([Si](/C=C(C(=C)C)\C)(C)C)C
• Title of publication: Silapentadienyl−Iridium−Phosphine Chemistry(1)
• Authors of publication: Bleeke, John R.; Thananatthanachon, Todsapon; Rath, Nigam P.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 2436
• a: 15.8275 ± 0.0008 Å
• b: 17.7785 ± 0.001 Å
• c: 17.9098 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5039.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.0419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No