Information card for entry 7709111

Structure parameters

• Formula: C42 H50 I2 N4 P2
• Calculated formula: C42 H50 I2 N4 P2
• Title of publication: A PH-functionalized dicationic bis(imidazolio)diphosphine
• Authors of publication: Cicac-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 10.117 ± 0.0011 Å
• b: 31.818 ± 0.003 Å
• c: 12.8882 ± 0.0016 Å
• α: 90°
• β: 94.567 ± 0.01°
• γ: 90°
• Cell volume: 4135.6 ± 0.8 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• 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: 0.0771
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No