Information card for entry 4076024

Structure parameters

• Formula: C45 H38 Ge S2
• Calculated formula: C45 H38 Ge S2
• SMILES: [Ge]1(SC(=C2\c3ccccc3c3ccccc23)\SC21c1ccccc1c1ccccc21)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Reactivity of Germene Mes2GeCR2with Cumulative Unsaturation-Containing Compounds: Synthesis of New Germanium Heterocycles
• Authors of publication: Ech-Cherif El Kettani, Sakina; Lazraq, Mohamed; Ranaivonjatovo, Henri; Escudié, Jean; Couret, Claude; Gornitzka, Heinz; Atmani, Aziz
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 22
• Pages of publication: 5364
• a: 9.4836 ± 0.0009 Å
• b: 17.9286 ± 0.0017 Å
• c: 20.9933 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3569.4 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No