Information card for entry 7034789

Structure parameters

• Formula: C30 H45 F3 N2 O4 S Sn
• Calculated formula: C30 H45 F3 N2 O4 S Sn
• SMILES: [Sn]12(N(c3c(cccc3C(C)C)C(C)C)CC[O]2CCN1c1c(cccc1C(C)C)C(C)C)(C)OS(=O)(=O)C(F)(F)F
• Title of publication: Synthesis of chelating diamido Sn(iv) compounds from oxidation of Sn(ii) and directly from Sn(iv) precursors.
• Authors of publication: Mansell, S. M.; Russell, C. A.; Wass, D. F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 21
• Pages of publication: 9756 - 9765
• a: 10.1512 ± 0.0016 Å
• b: 19.839 ± 0.003 Å
• c: 16.025 ± 0.003 Å
• α: 90°
• β: 92.5 ± 0.004°
• γ: 90°
• Cell volume: 3224.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No