Information card for entry 7019520

Structure parameters

• Formula: C56 H45 B Cl2 F4 Ir O P3 Si
• Calculated formula: C56 H45 B Cl2 F4 Ir O P3 Si
• SMILES: [IrH]123([P](c4c([Si]3(c3c([P]1(c1ccccc1)c1ccccc1)cccc3)c1c([P]2(c2ccccc2)c2ccccc2)cccc1)cccc4)(c1ccccc1)c1ccccc1)C#[O].ClCCl.[B](F)(F)(F)[F-]
• 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: 14.2428 ± 0.0005 Å
• b: 18.6561 ± 0.0007 Å
• c: 18.3709 ± 0.0007 Å
• α: 90°
• β: 94.0649 ± 0.0019°
• γ: 90°
• Cell volume: 4869.1 ± 0.3 ų
• Cell temperature: 200.1 K
• Ambient diffraction temperature: 200.1 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No