Information card for entry 7130493

Structure parameters

• Formula: C53 H66 Cl Ga Ge N2
• Calculated formula: C53 H66 Cl Ga Ge N2
• SMILES: [Ge]1([Ga]2(N(C(=CC(=[N]2c2c(cccc2C(C)C)C(C)C)C)C)c2c(cccc2C(C)C)C(C)C)[Cl]1)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• 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: 10.8257 ± 0.0009 Å
• b: 11.4854 ± 0.0009 Å
• c: 21.0914 ± 0.0018 Å
• α: 87.639 ± 0.004°
• β: 87.473 ± 0.004°
• γ: 65.602 ± 0.004°
• Cell volume: 2385.2 ± 0.3 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: 0.078
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No