Information card for entry 4321567

Structure parameters

• Formula: C12 H27 N3 O2 S Se
• Calculated formula: C12 H27 N3 O2 S Se
• SMILES: [Se]1(=NC(C)(C)C)N(S(=O)(=O)N1C(C)(C)C)C(C)(C)C
• Title of publication: Selenium Imides: 77Se NMR Investigations of the SeCl2-tBuNH2 Reaction and X-ray Structures of Se3(NtBu)3, tBuNSe(μ-NtBu)2SO2, and tBuNSe(μ-NtBu)2SeO
• Authors of publication: Tiina Maaninen; Tristram Chivers; Risto Laitinen; Gabriele Schatte; Maija Nissinen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5341 - 5347
• a: 18.669 ± 0.004 Å
• b: 12.329 ± 0.002 Å
• c: 16.463 ± 0.003 Å
• α: 90°
• β: 115.56 ± 0.03°
• γ: 90°
• Cell volume: 3418.4 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No