Information card for entry 2222311

Structure parameters

• Chemical name: {2,2-Bis[(4<i>S</i>)-4-<i>tert</i>-butyl-4,5-dihydro-1,3-oxazol-2- yl]propane}bis(<i>N</i>,<i>N</i>-dimethylformamide)copper(II) bis(hexafluoridoantimonate)
• Formula: C23 H44 Cu F12 N4 O4 Sb2
• Calculated formula: C23 H44 Cu F12 N4 O4 Sb2
• SMILES: [Sb](F)(F)(F)(F)(F)[F-].[Sb](F)(F)(F)([F-])(F)F.[Cu]1([O]=CN(C)C)([O]=CN(C)C)[N]2[C@H](COC=2C(C2OC[C@@H]([N]1=2)C(C)(C)C)(C)C)C(C)(C)C
• Title of publication: {2,2-Bis[(4<i>S</i>)-4-<i>tert</i>-butyl-4,5-dihydro-1,3-oxazol-2-yl]propane}bis(<i>N</i>,<i>N</i>-dimethylformamide)copper(II) bis(hexafluoridoantimonate)
• Authors of publication: Rehbein, Julia; Schürmann, Markus; Preut, Hans; Hiersemann, Martin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m737
• a: 9.155 ± 0.0005 Å
• b: 13.6852 ± 0.0008 Å
• c: 14.5359 ± 0.0008 Å
• α: 90°
• β: 92.57 ± 0.005°
• γ: 90°
• Cell volume: 1819.34 ± 0.18 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.0476
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes