Information card for entry 2231168

Structure parameters

• Chemical name: Bis(μ~2~-2-amino-5-nitrobenzoato)bis(2-amino-5-nitrobenzoato)octabutyldi- μ~3~-oxido-tetratin(IV)
• Formula: C60 H92 N8 O18 Sn4
• Calculated formula: C60 H92 N8 O18 Sn4
• Title of publication: Bis(μ~2~-2-amino-5-nitrobenzoato)bis(2-amino-5-nitrobenzoato)octabutyldi-μ~3~-oxido-tetratin(IV)
• Authors of publication: Win, Yip-Foo; Choong, Chen-Shang; Teoh, Siang-Guan; Yeap, Chin Sing; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1114 - m1115
• a: 14.3292 ± 0.0002 Å
• b: 15.3691 ± 0.0002 Å
• c: 18.2096 ± 0.0002 Å
• α: 80.289 ± 0.001°
• β: 74.982 ± 0.001°
• γ: 65.631 ± 0.001°
• Cell volume: 3519.49 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes