Information card for entry 7007230

Structure parameters

• Formula: C24 H57 Cl3 Cu N8 O13
• Calculated formula: C24 H54 Cl3 Cu N8 O13
• 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: 10.1113 ± 0.0012 Å
• b: 10.1113 ± 0.0012 Å
• c: 29.655 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2625.7 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No