Information card for entry 4345597

Structure parameters

• Formula: C12 H28 Ge N2 S3
• Calculated formula: C12 H28 Ge N2 S3
• SMILES: [Ge]12(SC(C[N]1(C)C)(C)C)(SC(C[N]2(C)C)(C)C)=S
• Title of publication: Germanium Compounds Containing Ge═E Double Bonds (E = S, Se, Te) as Single-Source Precursors for Germanium Chalcogenide Materials.
• Authors of publication: Kim, Hyo-Suk; Jung, Eun Ae; Han, Seong Ho; Han, Jeong Hwan; Park, Bo Keun; Kim, Chang Gyoun; Chung, Taek-Mo
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 4084 - 4092
• a: 7.8559 ± 0.0002 Å
• b: 19.2355 ± 0.0004 Å
• c: 12.1759 ± 0.0002 Å
• α: 90°
• β: 106.793 ± 0.001°
• γ: 90°
• Cell volume: 1761.46 ± 0.07 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No