Information card for entry 7708848

Structure parameters

• Formula: C26 H24 Pb S
• Calculated formula: C26 H24 Pb S
• SMILES: [Pb](c1c(cccc1)CSC)(c1ccccc1)(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: 10.423 ± 0.0009 Å
• b: 12.2886 ± 0.001 Å
• c: 17.8414 ± 0.0015 Å
• α: 97.222 ± 0.001°
• β: 95.635 ± 0.001°
• γ: 100.889 ± 0.002°
• Cell volume: 2208.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No