Information card for entry 4073524

Structure parameters

• Chemical name: cis,cis,cis-cyclododeca-1,5,9-triene-copper(i) tetrakis(perfluoro-tert-butoxy)aluminate
• Formula: C28 H18 Al Cu F36 O4
• Calculated formula: C28 H18 Al Cu F35.94 O4
• Title of publication: cis,cis,cis-1,5,9-Cyclododecatriene−Metal Complexes
• Authors of publication: Chernyshova, Eleonora S.; Goddard, Richard; Pörschke, Klaus-Richard
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 20
• Pages of publication: 4872
• a: 13.6998 ± 0.0005 Å
• b: 14.6452 ± 0.0005 Å
• c: 19.7498 ± 0.0007 Å
• α: 90°
• β: 99.439 ± 0.002°
• γ: 90°
• Cell volume: 3908.9 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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 all reflections: 0.1085
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No