Information card for entry 2227429

Structure parameters

• Chemical name: Bis(μ~2~-4-amino-3-nitrobenzoato)bis(4-amino-3-nitrobenzoato)octabutyldi- μ~3~-oxido-tetratin(IV)
• Formula: C60 H92 N8 O18 Sn4
• Calculated formula: C60 H92 N8 O18 Sn4
• SMILES: C(CCC)[Sn]1([O]=C(O[Sn]2([O]1[Sn]1(OC(=[O][Sn](CCCC)(OC(=O)c3ccc(c(c3)N(=O)=O)N)([O]21)CCCC)c1ccc(N)c(N(=O)=O)c1)(CCCC)CCCC)(CCCC)CCCC)c1ccc(N)c(N(=O)=O)c1)(CCCC)OC(=O)c1ccc(c(c1)N(=O)=O)N
• Title of publication: Bis(μ~2~-4-amino-3-nitrobenzoato)bis(4-amino-3-nitrobenzoato)octabutyldi-μ~3~-oxido-tetratin(IV)
• Authors of publication: Win, Yip-Foo; Choong, Chen-Shang; Teoh, Siang-Guan; Goh, Jia Hao; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1406 - m1407
• a: 11.9585 ± 0.0009 Å
• b: 13.0679 ± 0.001 Å
• c: 13.1897 ± 0.001 Å
• α: 76.256 ± 0.002°
• β: 67.445 ± 0.002°
• γ: 66.108 ± 0.002°
• Cell volume: 1732.1 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0569
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1163
• 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: No
• Has Fobs: Yes