Information card for entry 7020056

Structure parameters

• Formula: C20 H19 Cl N2 O2 Sn
• Calculated formula: C20 H19 Cl N2 O2 Sn
• SMILES: [Sn]1(Cl)[N]2=C(C(C)=C3OC[C@@H](N13)c1ccccc1)OC[C@@H]2c1ccccc1
• 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: 11.631 ± 0.0013 Å
• b: 6.7457 ± 0.0008 Å
• c: 11.9584 ± 0.0013 Å
• α: 90°
• β: 96.587 ± 0.001°
• γ: 90°
• Cell volume: 932.05 ± 0.18 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No