Information card for entry 2208285

Structure parameters

• Chemical name: catena-Poly[[bis(tetrafluoroborato)copper(II)]bis[μ-1,3- bis(ethylsulfinyl)propane-κ^2^O:O']]
• Formula: C14 H32 B2 Cu F8 O4 S4
• Calculated formula: C14 H32 B2 Cu F8 O4 S4
• SMILES: [Cu]1[O]=S(CC)CCCS(CC)=[O][Cu]([O]=S(CC)CCCS(=[O]1)CC)([O]=S(CC)CCCS(=O)CC)[O]=S(CCCS(=O)CC)CC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: <i>catena</i>-Poly[[bis(tetrafluoroborato)copper(II)]bis[μ-1,3-bis(ethylsulfinyl)propane-κ^2^<i>O</i>:<i>O</i>']]
• Authors of publication: Tao, Ying; Yu, Qun; Li, Jian-Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m595 - m596
• a: 7.767 ± 0.003 Å
• b: 11.091 ± 0.005 Å
• c: 15.094 ± 0.007 Å
• α: 90°
• β: 96.074 ± 0.008°
• γ: 90°
• Cell volume: 1293 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes