Information card for entry 2202367

Structure parameters

• Formula: C17 H23 Cl2 N3 O2 Zn
• Calculated formula: C17 H23 Cl2 N3 O2 Zn
• SMILES: [Zn]12(Cl)(Cl)N3[C@@H](CO[C@@H]3c3[n]1c(ccc3)[C@H]1OC[C@H](N21)C(C)C)C(C)C
• Title of publication: {2,6-Bis[(4<i>R</i>)-(+)-4-isopropyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-κ^3^<i>N</i>}dichlorozinc(II)
• Authors of publication: Panosyan, Francis B.; Lough, Alan J.; Chin, Jik
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: m864 - m866
• a: 7.4392 ± 0.0001 Å
• b: 8.4408 ± 0.0001 Å
• c: 8.7411 ± 0.0002 Å
• α: 113.027 ± 0.001°
• β: 97.04 ± 0.001°
• γ: 101.818 ± 0.001°
• Cell volume: 481.76 ± 0.015 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes