Information card for entry 4321037

Structure parameters

• Formula: C14 H24 Cu F6 O8 S2 Se4
• Calculated formula: C14 H24 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: 6.875 ± 0.002 Å
• b: 10.945 ± 0.002 Å
• c: 17.496 ± 0.002 Å
• α: 90°
• β: 96.76 ± 0.02°
• γ: 90°
• Cell volume: 1307.4 ± 0.5 ų
• Cell temperature: 195 K
• Ambient diffraction temperature: 195 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.025
• Goodness-of-fit parameter for significantly intense reflections: 1.17
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No