Information card for entry 4309036

Structure parameters

• Chemical name: Bis[N-methyl-(2-oxy-2-phenylethyl)-(2-oxyethyl)amine]germanium
• Formula: C22 H30 Ge N2 O4
• Calculated formula: C22 H30 Ge N2 O4
• SMILES: C1[C@@H](O[Ge]2(OCCN1C)O[C@H](CN(CCO2)C)c1ccccc1)c1ccccc1
• Title of publication: Synthesis, X-ray Diffraction Studies, and DFT Calculations on Hexacoordinated Germanium Derivatives: The Case of Germaspirobis(ocanes)
• Authors of publication: Sergey S. Karlov; Elmira Kh. Lermontova; Maxim V. Zabalov; Anastasia A. Selina; Andrei V. Churakov; Judith A. K. Howard; Mikhail Yu. Antipin; Galina S. Zaitseva
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 4879 - 4886
• a: 11.6124 ± 0.0001 Å
• b: 11.6124 ± 0.0001 Å
• c: 15.5183 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2092.61 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No