Information card for entry 2225981

Structure parameters

• Chemical name: Octakis(2-chlorobenzyl)di-μ~2~-hydroxido-di-μ~3~-oxido- bis(2-phenylacetato)tetratin(IV)
• Formula: C72 H64 Cl8 O8 Sn4
• Calculated formula: C72 H64 Cl8 O8 Sn4
• SMILES: C(=O)(Cc1ccccc1)O[Sn]1(Cc2c(cccc2)Cl)([OH][Sn]2([O]1[Sn]1([OH][Sn](Cc3c(cccc3)Cl)(OC(=O)Cc3ccccc3)([O]21)Cc1c(cccc1)Cl)(Cc1c(cccc1)Cl)Cc1c(cccc1)Cl)(Cc1c(cccc1)Cl)Cc1c(cccc1)Cl)Cc1c(Cl)cccc1
• Title of publication: Octakis(2-chlorobenzyl)di-μ~2~-hydroxido-di-μ~3~-oxido-bis(2-phenylacetato)tetratin(IV)
• Authors of publication: Peng, Wei-Bing; Li, Guo-Qiang; Yin, Handong; Zhao, Xianhe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m535 - m536
• a: 10.7095 ± 0.0014 Å
• b: 11.4846 ± 0.0016 Å
• c: 15.2412 ± 0.0018 Å
• α: 98.311 ± 0.002°
• β: 90.982 ± 0.001°
• γ: 98.404 ± 0.002°
• Cell volume: 1833.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0717
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes