Information card for entry 7019516

Structure parameters

• Formula: C55 H42 Ir O P3 Si
• Calculated formula: C55 H42 Ir O P3 Si
• SMILES: [Ir]123(C#[O])[Si](c4ccccc4[P]1(c1ccccc1)c1ccccc1)(c1ccccc1[P]2(c1ccccc1)c1ccccc1)c1ccccc1[P]3(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of iridium complexes bearing {o-(Ph(2)P)C(6)H(4)}(3)E type (E = Si, Ge, and Sn) ligand and evaluation of electron donating ability of group 14 elements E.
• Authors of publication: Kameo, Hajime; Ishii, Sho; Nakazawa, Hiroshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 27
• Pages of publication: 8290 - 8296
• a: 12.9826 ± 0.0005 Å
• b: 17.4845 ± 0.0006 Å
• c: 19.8833 ± 0.0008 Å
• α: 90°
• β: 98.9331 ± 0.0017°
• γ: 90°
• Cell volume: 4458.6 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0405
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No