Information card for entry 7024826

Structure parameters

• Formula: C28 H61 Cl2 Cu N7 O8
• Calculated formula: C28 H61 Cl2 Cu N7 O8
• Title of publication: Long tailed cage amines: Synthesis, metal complexation, and structure.
• Authors of publication: Dittrich, Birger; Harrowfield, Jack M.; Koutsantonis, George A.; Nealon, Gareth L.; Skelton, Brian W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 14
• Pages of publication: 3433 - 3448
• a: 8.803 ± 0.003 Å
• b: 17.759 ± 0.004 Å
• c: 27.012 ± 0.01 Å
• α: 91.86 ± 0.02°
• β: 99.6 ± 0.02°
• γ: 119.65 ± 0.02°
• Cell volume: 3586 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.2142
• Residual factor for significantly intense reflections: 0.184
• Weighted residual factors for significantly intense reflections: 0.3883
• Weighted residual factors for all reflections included in the refinement: 0.4259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.892
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No