Information card for entry 2212515

Structure parameters

• Chemical name: Dibutylbis(3,5-dinitrobenzoato-κO)tin(IV) toluene solvate
• Formula: C29 H32 N4 O12 Sn
• Calculated formula: C29 H32 N4 O12 Sn
• SMILES: [Sn](OC(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1)(OC(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1)(CCCC)CCCC.c1ccccc1C
• Title of publication: Dibutylbis(3,5-dinitrobenzoato-κ<i>O</i>)tin(IV) toluene solvate
• Authors of publication: Yip Foo Win; Siang-Guan Teoh; Pazilah Ibrahim; Shea-Lin Ng; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m875 - m877
• a: 20.4571 ± 0.001 Å
• b: 7.0328 ± 0.0003 Å
• c: 29.4029 ± 0.0013 Å
• α: 90°
• β: 131.364 ± 0.003°
• γ: 90°
• Cell volume: 3174.9 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes