Information card for entry 4085874

Structure parameters

• Formula: C53 H84 Ga In N4
• Calculated formula: C53 H84 Ga In N4
• SMILES: [In]([Ga]1([N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)CC)(c1n(c[n+](c1)C(C)(C)C)C(C)(C)C)(CC)CC.c1(ccccc1)C
• 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: 10.3085 ± 0.0005 Å
• b: 15.8971 ± 0.0007 Å
• c: 16.0446 ± 0.0007 Å
• α: 87.632 ± 0.001°
• β: 80.849 ± 0.001°
• γ: 87.754 ± 0.001°
• Cell volume: 2592.2 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No