Information card for entry 2209964

Structure parameters

• Chemical name: Octa-n-butylbis(μ~2~-4-chloro-3,5-dinitrobenzoato-κ^2^O:O')bis(4-chloro- 3,5-dinitrobenzoato-κO)di-μ~3~-oxo-tetratin(IV)
• Formula: C60 H80 Cl4 N8 O26 Sn4
• Calculated formula: C60 H80 Cl4 N8 O26 Sn4
• Title of publication: Octa-<i>n</i>-butylbis(μ~2~-4-chloro-3,5-dinitrobenzoato-κ^2^<i>O</i>:<i>O</i>')bis(4-chloro-3,5-dinitrobenzoato-κ<i>O</i>)di-μ~3~-oxo-tetratin(IV)
• Authors of publication: Aziz-ur-Rehman; Shahzadi, Saira; Ali, Saqib; Helliwell, Madeleine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1734 - m1736
• a: 12.1784 ± 0.0011 Å
• b: 12.5143 ± 0.0012 Å
• c: 13.5682 ± 0.0012 Å
• α: 104.597 ± 0.001°
• β: 110.77 ± 0.001°
• γ: 95.96 ± 0.001°
• Cell volume: 1827.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes