Information card for entry 1572441

Structure parameters

• Chemical name: Poly[tris(2-aminobutan-1-ol)copper(II) [hexakis-μ~2~-cyanido-κ^12^<i>C</i>:<i>N</i>-tetracopper(I)] bis(2-aminobutan-1-olato)aquacopper(II) monohydrate]
• Formula: C26 H57 Cu6 N11 O7
• Calculated formula: C26 H57 Cu6 N11 O7
• Title of publication: Poly[tris(2-aminobutan-1-ol)copper(II) [hexakis-μ2-cyanido-κ12 C:N-tetracopper(I)] bis(2-aminobutan-1-olato)aquacopper(II) monohydrate]
• Authors of publication: Corfield, Peter W. R.; Salvi, Paul
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 8
• a: 11.1008 ± 0.0002 Å
• b: 14.9561 ± 0.0003 Å
• c: 12.7221 ± 0.0002 Å
• α: 90°
• β: 91.486 ± 0.001°
• γ: 90°
• Cell volume: 2111.47 ± 0.07 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No