Information card for entry 2210582

Structure parameters

• Chemical name: Aqua[4-(1H-benzimidazol-2-yl)benzoato]triphenyltin(IV) dioxane solvate
• Formula: C36 H34 N2 O5 Sn
• Calculated formula: C36 H34 N2 O5 Sn
• SMILES: [Sn](OC(=O)c1ccc(cc1)c1nc2c([nH]1)cccc2)([OH2])(c1ccccc1)(c1ccccc1)c1ccccc1.O1CCOCC1
• Title of publication: Aqua[4-(1<i>H</i>-benzimidazol-2-yl)benzoato]triphenyltin(IV) dioxane solvate
• Authors of publication: Fang, Xiao-Niu; Xiao, Yi-An; Sui, Yan; Chen, Hong-Mei; Zuo, Chuan-Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2519 - m2521
• a: 15.233 ± 0.003 Å
• b: 11.58 ± 0.002 Å
• c: 19.047 ± 0.004 Å
• α: 90°
• β: 103.617 ± 0.002°
• γ: 90°
• Cell volume: 3265.4 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.085
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes