Information card for entry 2201279

Structure parameters

• Chemical name: Dichloro{2,2'-thiobis[(4S)-4-isopropyl-1,3-oxazolinylphenyl]}zinc(II)
• Formula: C24 H28 Cl2 N2 O2 S Zn
• Calculated formula: C24 H28 Cl2 N2 O2 S Zn
• SMILES: [Zn]1(Cl)(Cl)N2[C@@H](OC[C@@H]2C(C)C)c2c(Sc3ccccc3[C@@H]3OC[C@@H](N13)C(C)C)cccc2
• Title of publication: Dichloro{2,2'-thiobis[(4<i>S</i>)-4-isopropyl-1,3-oxazolinylphenyl]}zinc(II)
• Authors of publication: Kooijman, Huub; Spek, Anthony L.; Zondervan, Charon; Feringa, Ben L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: m429 - m431
• a: 9.5848 ± 0.0006 Å
• b: 15.6021 ± 0.0009 Å
• c: 16.4734 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2463.5 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0325
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes