Information card for entry 4324892

Structure parameters

• Formula: C45 H29 Cl3 F4 Ir N2 O2 P
• Calculated formula: C45 H29 Cl3 F4 Ir N2 O2 P
• Title of publication: Water Attack Umpolung Aromatic Systems To Release Hydrogen
• Authors of publication: Tsun-Ren Chen; Hsiu-Pen Lee; Jhy-Der Chen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 3645 - 3650
• a: 10.5124 ± 0.0002 Å
• b: 13.2493 ± 0.0004 Å
• c: 15.7584 ± 0.0004 Å
• α: 89.34 ± 0.002°
• β: 70.9 ± 0.002°
• γ: 77.471 ± 0.002°
• Cell volume: 2020.43 ± 0.09 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No