Information card for entry 2228369

Structure parameters

• Chemical name: {2,2-Bis[(4<i>S</i>)-4-isopropyl-4,5-dihydro-1,3-oxazol-2- yl]propane}bis(<i>N</i>,<i>N</i>-dimethylformamide)copper(II) bis[hexafluoridoantimonate(V)]
• Formula: C21 H40 Cu F12 N4 O4 Sb2
• Calculated formula: C21 H40 Cu F12 N4 O4 Sb2
• SMILES: C(N(C)C)=[O][Cu]1([F][Sb](F)(F)(F)(F)F)([F][Sb](F)(F)(F)(F)F)([N]2[C@@H](C(C)C)COC=2C(C)(C)C2=[N]1[C@H](CO2)C(C)C)[O]=CN(C)C
• Title of publication: {2,2-Bis[(4<i>S</i>)-4-isopropyl-4,5-dihydro-1,3-oxazol-2-yl]propane}bis(<i>N</i>,<i>N</i>-dimethylformamide)copper(II) bis[hexafluoridoantimonate(V)]
• Authors of publication: Zeh, Julia; Möller, Melina; Strohmann, Carsten; Preut, Hans; Hiersemann, Martin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1688
• a: 9.7256 ± 0.0002 Å
• b: 15.2444 ± 0.0003 Å
• c: 23.204 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3440.25 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0394
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections included in the refinement: 0.0373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes