Information card for entry 7007229

Structure parameters

• Formula: C24 H53 Cu N12 O10
• Calculated formula: C24 H53 Cu N12 O10
• Title of publication: Effect of methylation on the coordination of copper by small azacryptands; the role of geometrically constrained hydrogen bonding in stabilizing terminally coordinated oxygen species.
• Authors of publication: Farrell, David; Harding, Charles J.; McKee, Vickie; Nelson, Jane
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 26
• Pages of publication: 3204 - 3211
• a: 11.2153 ± 0.0007 Å
• b: 14.4404 ± 0.0008 Å
• c: 21.0213 ± 0.0012 Å
• α: 90°
• β: 99.298 ± 0.001°
• γ: 90°
• Cell volume: 3359.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0661
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No