Information card for entry 7052094

Structure parameters

• Formula: C28 H20 Ga3 I5 O4
• Calculated formula: C28 H20 Ga3 I5 O4
• SMILES: I[Ga]123[O]4C(=C([O]1[Ga](I)(I)[O]3C(=C([O]2[Ga]4(I)I)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: ?GaI?: A new reagent for chemo- and diastereoselective C?C bond forming reactions
• Authors of publication: Green, Shaun P.; Jones, Cameron; Stasch, Andreas; Rose, Richard P.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 127
• a: 9.0898 ± 0.0018 Å
• b: 19.066 ± 0.004 Å
• c: 20.516 ± 0.004 Å
• α: 90°
• β: 95.84 ± 0.03°
• γ: 90°
• Cell volume: 3537.1 ± 1.2 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: 0.0607
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No