Information card for entry 4345598

Structure parameters

• Formula: C12 H28 Ge N2 O2 Se
• Calculated formula: C12 H28 Ge N2 O2 Se
• SMILES: [Se]=[Ge]12(OC(C[N]1(C)C)(C)C)OC(C[N]2(C)C)(C)C
• 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: 7.9496 ± 0.0004 Å
• b: 18.405 ± 0.001 Å
• c: 12.2204 ± 0.0007 Å
• α: 90°
• β: 105.087 ± 0.003°
• γ: 90°
• Cell volume: 1726.37 ± 0.16 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 6
• 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: 0.0357
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No