Information card for entry 7708845

Structure parameters

• Formula: C20 H19 Cl Pb S
• Calculated formula: C20 H19 Cl Pb S
• SMILES: [Pb]1(Cl)([S](Cc2c1cccc2)C)(c1ccccc1)c1ccccc1
• Title of publication: Hypercoordinated eka-tin materials with dangling aryl-methoxy and -methylthio ligands exhibiting intramolecular secondary bonding and aryl bond stabilization in reactions with organotin chlorides.
• Authors of publication: Ornelas, Alfredo; Arias-Ugarte, Renzo; Metta-Magaña, Alejandro J; Sharma, Hemant K.; Pannell, Keith H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 44
• Pages of publication: 16084 - 16091
• a: 13.928 ± 0.005 Å
• b: 12.57 ± 0.004 Å
• c: 11.1 ± 0.004 Å
• α: 90°
• β: 92.932 ± 0.006°
• γ: 90°
• Cell volume: 1940.8 ± 1.2 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: 0.0932
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No