Information card for entry 4334959

Structure parameters

• Common name: TPEnGaCl3
• Formula: C23 H32 Cl3 Ga N5 O3
• Calculated formula: C22 H26 Cl3 Ga N6 O3
• SMILES: c1cccc2C[NH]3CC[N]45Cc6cccc[n]6[Ga]35([n]3c(C4)cccc3)(Cl)[n]12.C(#N)C.[Cl-].[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: 9.154 ± 0.0003 Å
• b: 11.9245 ± 0.0004 Å
• c: 12.8632 ± 0.0004 Å
• α: 80.306 ± 0.001°
• β: 81.88 ± 0.001°
• γ: 88.063 ± 0.001°
• Cell volume: 1370.11 ± 0.08 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 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: 0.0419
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No