Information card for entry 7007693

Structure parameters

• Formula: C28 H24 Cu4 F30 N2 O18
• Calculated formula: C28 H24 Cu4 F30 N2 O18
• SMILES: NC=O.[OH2][Cu]12([OH2])[O]3([C@@]4(C(F)(F)F)CC5(C(F)(F)F)C[C@](C(F)(F)F)(O4)[O]4[Cu]6([OH2])([OH2])[O]78[C@]9(C(F)(F)F)CC%10(C(F)(F)F)C[C@@](C(F)(F)F)(O9)[O]2[Cu]237([O]56)[O]=C(C(F)(F)F)C=C(O2)C(F)(F)F)[Cu]248([O]1%10)[O]=C(C(F)(F)F)C=C(O2)C(F)(F)F.NC=O
• Title of publication: Double half-cubane copper(II) complexes available from copper(II) 1,1,1,5,5,5-hexafluoropentane-2,4-dionate dissolved in formamides.
• Authors of publication: Morishita, Yasuhiko; Kogane, Tamizo; Nogami, Takashi; Ishida, Takayuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 37
• Pages of publication: 4438 - 4443
• a: 10.509 ± 0.0013 Å
• b: 11.249 ± 0.0012 Å
• c: 12.1183 ± 0.001 Å
• α: 65.829 ± 0.002°
• β: 71.604 ± 0.005°
• γ: 71.133 ± 0.004°
• Cell volume: 1208.6 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No