Information card for entry 7019524

Structure parameters

• Formula: C59.5 H57 B Cl5 F4 Ir O3 P4 Si
• Calculated formula: C59.5 H55 B Cl5 F4 Ir O3 P4 Si
• 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: 14.7796 ± 0.0007 Å
• b: 21.9897 ± 0.0008 Å
• c: 20.0025 ± 0.001 Å
• α: 90°
• β: 107.692 ± 0.0019°
• γ: 90°
• Cell volume: 6193.3 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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 all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No