Information card for entry 7712911

Structure parameters

• Formula: C42 H52 N4 O2 S2 Sn
• Calculated formula: C42 H52 N4 O2 S2 Sn
• SMILES: C(C)(C)N1[S@](c2ccccc2)(=[N](c2c(cc(cc2C)C)C)[Sn]21[N](c1c(cc(cc1C)C)C)=[S@@](c1ccccc1)(N2C(C)C)=O)=O.c1ccccc1.C(C)(C)N1[S@@](c2ccccc2)(=[N](c2c(cc(cc2C)C)C)[Sn]21[N](c1c(cc(cc1C)C)C)=[S@](c1ccccc1)(N2C(C)C)=O)=O.c1ccccc1
• Title of publication: Synthesis and Structures of Homoleptic Germylenes and Stannylenes with Sulfonimidamide Ligands
• Authors of publication: Lentz, Nicolas; Sodreau, Alexandre; Acuña, Alejandra; Ladeira, Sonia; Maerten, Eddy; Sotiropoulos, Jean-Marc; Rojas, Rene S.; Madec, David
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 15.5421 ± 0.0008 Å
• b: 8.0005 ± 0.0004 Å
• c: 33.9053 ± 0.0016 Å
• α: 90°
• β: 96.144 ± 0.002°
• γ: 90°
• Cell volume: 4191.7 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.0558
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No