Information card for entry 8103259

Structure parameters

• Chemical name: Crystal structure of bis(<i>μ</i>~3~-Oxo)-Bis[<i>μ</i>~2~-benzofuran-2-carboxylato-<i>O</i>,\ <i>O</i>'] -Bis[<i>μ</i>~2~-benzofuran-2-carboxylato-<i>O</i>,<i>O</i>']-\ Octakis(<i>n</i>-butyl)-tetratin(IV)
• Formula: C34 H46 O7 Sn2
• Calculated formula: C34 H46 O7 Sn2
• Title of publication: Crystal structure of bis[?2-benzofuran-2-carboxylato-O,O']-bis[?2-benzofuran-2-carboxylato-O]-octakis(n-butyl)-bis(?3-oxo)tetratin(IV), Sn4O2(C4H9)8(C9H5O3)4
• Authors of publication: Chun-Ling Liu; Dong-Sheng Zhu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 4
• Pages of publication: 642
• a: 10.5518 ± 0.0004 Å
• b: 12.2122 ± 0.0005 Å
• c: 13.6872 ± 0.0005 Å
• α: 100.414 ± 0.001°
• β: 94.248 ± 0.001°
• γ: 90.322 ± 0.001°
• Cell volume: 1729.6 ± 0.12 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0264
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No