Information card for entry 4078255

Structure parameters

• Common name: Compopund 4d
• Formula: C15 H35 Cl Ir P3
• Calculated formula: C15 H35 Cl Ir P3
• SMILES: [IrH](Cl)([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)/C(=C/C)C#CC
• Title of publication: Aqueous Organometallic Chemistry ofmer-Ir(H)2(PMe3)3X Complexes
• Authors of publication: Merola, Joseph S.; Husebo, Trang Le; Matthews, Kelly E.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 10
• Pages of publication: 3920
• a: 11.827 ± 0.003 Å
• b: 12.535 ± 0.003 Å
• c: 14.506 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2150.5 ± 0.9 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No