Information card for entry 4310714

Structure parameters

• Formula: C20 H30 N2 Se3
• Calculated formula: C20 H30 N2 Se3
• SMILES: [Se]1N([Se][Se]N1C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
• Title of publication: Experimental and Theoretical Investigations of Structural Trends for Selenium(IV) Imides and Oxides: X-ray Structure of Se3(NAd)2
• Authors of publication: Tiina Maaninen; Heikki M. Tuononen; Gabriele Schatte; Reijo Suontamo; Jussi Valkonen; Risto Laitinen; Tristram Chivers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2097 - 2104
• a: 27.259 ± 0.0002 Å
• b: 6.585 ± 0.0004 Å
• c: 21.634 ± 0.0009 Å
• α: 90 ± 0.0012°
• β: 100.152 ± 0.0011°
• γ: 90 ± 0.002°
• Cell volume: 3822.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1015
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No