Information card for entry 7024827

Structure parameters

• Formula: C28 H66 Cl3 Cu N7 O14
• Calculated formula: C28 H62 Cl3 Cu N7 O14
• 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: 8.591 ± 0.001 Å
• b: 8.634 ± 0.001 Å
• c: 31.316 ± 0.005 Å
• α: 95.803 ± 0.01°
• β: 91.411 ± 0.01°
• γ: 119.62 ± 0.01°
• Cell volume: 2001.5 ± 0.5 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: 0.0917
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.2458
• Weighted residual factors for all reflections included in the refinement: 0.2467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.766 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No