Information card for entry 4321033

Structure parameters

• Formula: C9 H18 Se3
• Calculated formula: C9 H18 Se3
• Title of publication: Synthesis, Characterization, and Redox Behavior of New Selenium Coronands and of Copper(I) and Copper(II) Complexes of Selenium Coronands
• Authors of publication: Raymond J. Batchelor; Frederick W. B. Einstein; Ian D. Gay; Jian-Hua Gu; Seema Mehta; B. Mario Pinto; Xue-Min Zhou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2558 - 2571
• a: 14.943 ± 0.004 Å
• b: 5.638 ± 0.002 Å
• c: 14.229 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1198.8 ± 0.6 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n 21 a
• Hall space group symbol: P -2ac -2n
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.027
• Goodness-of-fit parameter for significantly intense reflections: 1.38
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No