Information card for entry 4085873

Structure parameters

• Formula: C64 H97 Ga2 In N4
• Calculated formula: C64 H97 Ga2 In N4
• SMILES: [Ga]1([In]([Ga]2([N](=C(C=C(N2c2c(cccc2C(C)C)C(C)C)C)C)c2c(cccc2C(C)C)C(C)C)CC)CC)(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)CC
• Title of publication: Synthesis of Heterobimetallic Group 13 Compounds via Oxidative Addition Reaction of Gallanediyl LGa and InEt3
• Authors of publication: Ganesamoorthy, Chelladurai; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 2991
• a: 22.3225 ± 0.0006 Å
• b: 10.1219 ± 0.0003 Å
• c: 27.9108 ± 0.0008 Å
• α: 90°
• β: 100.537 ± 0.001°
• γ: 90°
• Cell volume: 6200 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• 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: 0.0829
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No