Information card for entry 7019523

Structure parameters

• Formula: C57 H49 B Cl4 F4 Ir O P3
• Calculated formula: C57 H49 B Cl4 F4 Ir O P3
• 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: 12.3525 ± 0.0006 Å
• b: 23.4548 ± 0.0009 Å
• c: 39.06 ± 0.002 Å
• α: 90°
• β: 100.837 ± 0.002°
• γ: 90°
• Cell volume: 11114.9 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• 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: 0.0776
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.1766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No