Information card for entry 7710540

Structure parameters

• Formula: C21 H38 Ga I3 P2
• Calculated formula: C21 H38 Ga I3 P2
• SMILES: I[Ga](I)(I)[P](=P(C)(C)C)c1c(C(C)(C)C)cc(cc1C(C)(C)C)C(C)(C)C
• Title of publication: Modulating the reactivity of phosphanylidenephosphoranes towards water with Lewis acids
• Authors of publication: Dankert, Fabian; Fischer, Malte; Hering-Junghans, Christian
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 9.1316 ± 0.0009 Å
• b: 29.821 ± 0.002 Å
• c: 10.5682 ± 0.001 Å
• α: 90°
• β: 91.854 ± 0.008°
• γ: 90°
• Cell volume: 2876.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0755
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1676
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No