Information card for entry 4321568

Structure parameters

• Formula: C12 H27 N3 O Se2
• Calculated formula: C12 H27 N3 O Se2
• SMILES: C(C)(C)(C)N=[Se]1N(C(C)(C)C)[Se](N1C(C)(C)C)=O
• 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: 6.372 ± 0.001 Å
• b: 9.926 ± 0.002 Å
• c: 14.034 ± 0.003 Å
• α: 99.32 ± 0.003°
• β: 95.764 ± 0.003°
• γ: 103.876 ± 0.003°
• Cell volume: 841.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No