Information card for entry 4335315

Structure parameters

• Formula: C23 H22 I N2 O P
• Calculated formula: C23 H22 I N2 O P
• SMILES: c1n(cc[n+]1c1cccc(c1)CP(=O)(c1ccccc1)c1ccccc1)C.[I-]
• Title of publication: Complexes with Hybrid Phosphorus-NHC Ligands: Pincer-Type Ir Hydrides, Dinuclear Ag and Ir and Tetranuclear Cu and Ag Complexes
• Authors of publication: Xianghao Liu; Pierre Braunstein
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7367 - 7379
• a: 9.4993 ± 0.0007 Å
• b: 11.2175 ± 0.0009 Å
• c: 12.023 ± 0.0015 Å
• α: 108.775 ± 0.002°
• β: 107.405 ± 0.002°
• γ: 103.001 ± 0.002°
• Cell volume: 1081.8 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No