Information card for entry 7130492

Structure parameters

• Formula: C60 H77 Cl Ga Ge N3
• Calculated formula: C60 H77 Cl Ga Ge N3
• Title of publication: Structurally characterised intermediate of the oxidative addition of a heteroleptic germylene to gallanediyle
• Authors of publication: Bücker, Anna; Wölper, Christoph; Haberhauer, Gebhard; Schulz, Stephan
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 10.8534 ± 0.001 Å
• b: 12.7554 ± 0.0011 Å
• c: 20.8891 ± 0.0018 Å
• α: 81.618 ± 0.003°
• β: 83.685 ± 0.003°
• γ: 70.885 ± 0.003°
• Cell volume: 2697.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0348
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No