Information card for entry 7020058

Structure parameters

• Formula: C50 H54 F6 N4 O12 S2 Sn2
• Calculated formula: C50 H54 F6 N4 O12 S2 Sn2
• SMILES: [Sn]1(N2C(=C(C)C3=[N]1[C@H](CO3)c1ccccc1)OC[C@@H]2c1ccccc1)([O]1CCCC1)OS(=[O][Sn]1(N2C(=C(C)C3=[N]1[C@H](CO3)c1ccccc1)OC[C@@H]2c1ccccc1)[O]1CCCC1)(=O)C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Coordination of a chiral tin(ii) cation bearing a bis(oxazoline) ligand with tetrahydrofuran derivatives.
• Authors of publication: Arii, Hidekazu; Matsuo, Mizuho; Nakadate, Fumiya; Mochida, Kunio; Kawashima, Takayuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 36
• Pages of publication: 11195 - 11200
• a: 15.106 ± 0.004 Å
• b: 15.498 ± 0.004 Å
• c: 22.757 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5328 ± 2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No