Information card for entry 4301677

Structure parameters

• Common name: [SiPiPr3]Ir(H)(Cl)
• Formula: C42 H61 Cl Ir P3 Si
• Calculated formula: C42 H60 Cl Ir P3 Si
• SMILES: [Ir]123([Si](c4ccccc4[P]1(C(C)C)C(C)C)(c1ccccc1[P]2(C(C)C)C(C)C)c1ccccc1[P]3(C(C)C)C(C)C)Cl.c1ccccc1
• Title of publication: Dinitrogen Complexes Supported by Tris(phosphino)silyl Ligands
• Authors of publication: Matthew T. Whited; Neal P. Mankad; Yunho Lee; Paul F. Oblad; Jonas C. Peters
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2507 - 2517
• a: 19.5771 ± 0.0015 Å
• b: 11.0445 ± 0.0009 Å
• c: 18.5937 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4020.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No