Information card for entry 4321339

Structure parameters

• Common name: [(n-Pr)2ATI]GeN3
• Formula: C13 H19 Ge N5
• Calculated formula: C13 H19 Ge N5
• SMILES: [Ge]1([N](=C2C=CC=CC=C2N1CCC)CCC)N=N#N
• Title of publication: Azido Derivatives of Low-Valent Group 14 Elements: Synthesis, Characterization, and Electronic Structure of [(n-Pr)2ATI]GeN3 and [(n-Pr)2ATI]SnN3 Featuring Heterobicyclic 10-π-Electron Ring Systems
• Authors of publication: Ashley E. Ayers; Dennis S. Marynick; H. V. Rasika Dias
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4147 - 4151
• a: 7.5389 ± 0.001 Å
• b: 9.5627 ± 0.0016 Å
• c: 11.0499 ± 0.0017 Å
• α: 94.848 ± 0.013°
• β: 109.876 ± 0.01°
• γ: 100.905 ± 0.012°
• Cell volume: 726 ± 0.2 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0216
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No