Information card for entry 7024829

Structure parameters

• Formula: C44 H106 Cl4 N8 O4
• Calculated formula: C44 H103 Cl4 N8 O4
• 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: 9.3572 ± 0.0003 Å
• b: 14.2614 ± 0.0005 Å
• c: 42.078 ± 0.001 Å
• α: 90°
• β: 96.001 ± 0.003°
• γ: 90°
• Cell volume: 5584.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1965
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No