Information card for entry 2207107

Structure parameters

• Chemical name: μ-3-Mercaptobenzoato-κ^2^O:S-bis(triphenyltin)
• Formula: C43 H34 O2 S Sn2
• Calculated formula: C43 H34 O2 S Sn2
• SMILES: [Sn](Sc1cc(C2=[O][Sn](O2)(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: μ-3-Mercaptobenzoato-κ^2^<i>O</i>:<i>S</i>-bis(triphenyltin)
• Authors of publication: Qing-Fu Zhang; Ru-Fen Zhang; Chun-Lin Ma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m1923 - m1924
• a: 10.383 ± 0.003 Å
• b: 17.997 ± 0.005 Å
• c: 20.207 ± 0.006 Å
• α: 90°
• β: 96.928 ± 0.005°
• γ: 90°
• Cell volume: 3748.4 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes