Information card for entry 2228645

Structure parameters

• Chemical name: <i>catena</i>-Poly[triethylammonium [[triphenyltin(IV)]-μ-2,2'-dihydroxy-4,4'-methylenedi-2-naphthoato]]
• Formula: C47 H45 N O6 Sn
• Calculated formula: C47 H45 N O6 Sn
• SMILES: [Sn](c1ccccc1)(c1ccccc1)(c1ccccc1)(OC(=O)c1cc2c(cccc2)c(c1O)Cc1c(O)c(cc3c1cccc3)C(=O)O[Sn](c3ccccc3)(c3ccccc3)c3ccccc3)OC(=O)c1cc2c(cccc2)c(c1O)Cc1c(O)c(cc3c1cccc3)C(=O)[O-].[NH+](CC)(CC)CC.[NH+](CC)(CC)CC
• Title of publication: <i>catena</i>-Poly[triethylammonium [[triphenyltin(IV)]-μ-3,3'-dihydroxy-4,4'-methylenedi-2-naphthoato]]
• Authors of publication: Liu, Lijun; Gong, Shuwen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m122
• a: 13.259 ± 0.0014 Å
• b: 16.3231 ± 0.0016 Å
• c: 19.166 ± 0.002 Å
• α: 90°
• β: 98.58 ± 0.002°
• γ: 90°
• Cell volume: 4101.6 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1682
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes