Information card for entry 7034780

Structure parameters

• Formula: C52 H76 N4 S2 Sn2
• Calculated formula: C52 H76 N4 S2 Sn2
• SMILES: [Sn]12(S[Sn]3(S1)N(c1c(cccc1C(C)C)C(C)C)CCN3c1c(cccc1C(C)C)C(C)C)N(c1c(cccc1C(C)C)C(C)C)CCN2c1c(cccc1C(C)C)C(C)C
• 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: 12.343 ± 0.003 Å
• b: 13.215 ± 0.003 Å
• c: 34.597 ± 0.007 Å
• α: 79.946 ± 0.006°
• β: 88.904 ± 0.008°
• γ: 72.595 ± 0.006°
• Cell volume: 5299 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No