Information card for entry 4334957

Structure parameters

• Formula: C14 H24 Cl3 Ga N4 O3
• Calculated formula: C14 H18 Cl3 Ga N4 O3
• SMILES: [Ga]123(Cl)(Cl)[NH](Cc4[n]1cccc4)CC[NH]2Cc1[n]3cccc1.[Cl-].O.O.O
• Title of publication: Catalysis of Alkene Epoxidation by a Series of Gallium(III) Complexes with Neutral N-Donor Ligands
• Authors of publication: Wenchan Jiang; John D. Gorden; Christian R. Goldsmith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5814 - 5823
• a: 13.7249 ± 0.0005 Å
• b: 7.3885 ± 0.0003 Å
• c: 20.7913 ± 0.0008 Å
• α: 90°
• β: 105.6 ± 0.001°
• γ: 90°
• Cell volume: 2030.7 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No