Information card for entry 7036241

Structure parameters

• Formula: C21 H39 N Sn
• Calculated formula: C21 H39 N Sn
• SMILES: [Sn](Nc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)(C)C
• Title of publication: Syntheses, structures, and (1)H, (13)C{(1)H} and (119)Sn{(1)H} NMR chemical shifts of a family of trimethyltin alkoxide, amide, halide and cyclopentadienyl compounds.
• Authors of publication: Lichtscheidl, Alejandro G.; Janicke, Michael T.; Scott, Brian L.; Nelson, Andrew T.; Kiplinger, Jaqueline L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 36
• Pages of publication: 16156 - 16163
• a: 6.0759 ± 0.0019 Å
• b: 18.516 ± 0.006 Å
• c: 10.153 ± 0.003 Å
• α: 90°
• β: 105.675 ± 0.003°
• γ: 90°
• Cell volume: 1099.7 ± 0.6 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.018
• Residual factor for significantly intense reflections: 0.0173
• Weighted residual factors for significantly intense reflections: 0.0408
• Weighted residual factors for all reflections included in the refinement: 0.0412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No