Information card for entry 4324895

Structure parameters

• Formula: C44 H27 Cl F4 Ir N2 O2 P
• Calculated formula: C44 H27 Cl F4 Ir N2 O2 P
• SMILES: [Ir]12(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)([n]3c4ccccc4oc3c3cc(F)cc(F)c13)[n]1c3ccccc3oc1c1cc(F)cc(F)c21
• 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: 11.2481 ± 0.0003 Å
• b: 21.2316 ± 0.0006 Å
• c: 16.3065 ± 0.0004 Å
• α: 90°
• β: 94.798 ± 0.002°
• γ: 90°
• Cell volume: 3880.59 ± 0.18 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 8
• 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: 0.0367
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No