Information card for entry 4321038

Structure parameters

• Formula: C13 H24 Cu F3 O3 S3 Se2
• Calculated formula: C13 H24 Cu F3 O3 S3 Se2
• 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: 10.512 ± 0.003 Å
• b: 10.674 ± 0.002 Å
• c: 10.682 ± 0.003 Å
• α: 101.47 ± 0.02°
• β: 116.82 ± 0.02°
• γ: 93.59 ± 0.02°
• Cell volume: 1032.3 ± 0.5 ų
• Cell temperature: 205 K
• Ambient diffraction temperature: 205 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.037
• Goodness-of-fit parameter for significantly intense reflections: 1.5
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No