Information card for entry 2230241

Structure parameters

• Chemical name: Aquabis(4-chlorobenzyl)bis(nicotinato-κ^2^<i>O</i>,<i>O</i>')tin(IV)
• Formula: C26 H22 Cl2 N2 O5 Sn
• Calculated formula: C26 H22 Cl2 N2 O5 Sn
• SMILES: [Sn]12(OC(=[O]1)c1cccnc1)(OC(=[O]2)c1cccnc1)([OH2])(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1
• Title of publication: Aquabis(4-chlorobenzyl)bis(nicotinato-κ^2^<i>O</i>,<i>O</i>')tin(IV)
• Authors of publication: Keng, Thy Chun; Lo, Kong Mun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m662
• a: 9.0219 ± 0.0001 Å
• b: 10.5929 ± 0.0001 Å
• c: 14.5866 ± 0.0002 Å
• α: 79.649 ± 0.0005°
• β: 87.629 ± 0.0005°
• γ: 66.5051 ± 0.0004°
• Cell volume: 1256.93 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes