Information card for entry 4321036

Structure parameters

• Formula: C14 H22 Cu F6 O8 S2 Se4
• Calculated formula: C14 H22 Cu F6 O8 S2 Se4
• 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: 8.412 ± 0.005 Å
• b: 20.924 ± 0.005 Å
• c: 15.021 ± 0.005 Å
• α: 90°
• β: 100.82 ± 0.04°
• γ: 90°
• Cell volume: 2596.9 ± 1.9 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.061
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No