Information card for entry 2015324

Structure parameters

• Chemical name: Bis(μ~6~-cis-2,4,6,8,10,12,14,16-octamethylcyclooctasiloxane- 2,4,6,8,10,12,14,16-octolato)octakis[(dimethylformamide)copper(II)] dimethylformamide pyrazine solvate
• Formula: C47 H115 Cu8 N11 O41 Si16
• Calculated formula: C47 H115 Cu8 N11 O41 Si16
• Title of publication: Bis(μ~6~-<i>cis</i>-2,4,6,8,10,12,14,16-octamethylcyclooctasiloxane-2,4,6,8,10,12,14,16-octolato)octakis[(dimethylformamide)copper(II)] dimethylformamide solvate enclosing a pyrazine molecule
• Authors of publication: Zherlitsyna, Larissa; Auner, Norbert; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m199 - m200
• a: 16.9402 ± 0.0016 Å
• b: 18.6388 ± 0.0018 Å
• c: 17.2684 ± 0.0016 Å
• α: 90°
• β: 110.679 ± 0.007°
• γ: 90°
• Cell volume: 5101.1 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 0.743
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes