Information card for entry 7007692

Structure parameters

• Formula: C40 H52 Cu4 F24 N4 O16
• Calculated formula: C40 H52 Cu4 F24 N4 O16
• SMILES: [C@@]12(C(F)(F)F)[O]3[Cu]456([O]7[C@@](C(F)(F)F)(O1)CC(C2)(C(F)(F)F)[O]12[Cu]8([O]9[C@@]%10(CC%11(C[C@](C(F)(F)F)([O]8[Cu]351([O]4%11[Cu]6729OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)O%10)C(F)(F)F)C(F)(F)F)([O]=CN(CC)CC)[O]=CN(CC)CC)([O]=CN(CC)CC)[O]=CN(CC)CC
• 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: 10.1392 ± 0.0004 Å
• b: 22.3013 ± 0.0012 Å
• c: 12.6048 ± 0.0005 Å
• α: 90°
• β: 93.4866 ± 0.0012°
• γ: 90°
• Cell volume: 2844.9 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No