Information card for entry 7028488

Structure parameters

• Formula: C46 H69 Cu6 N7 O18
• Calculated formula: C46 H63 Cu6 N7 O18
• Title of publication: A dodecanuclear copper(ii) cage self-assembled from six dicopper building units.
• Authors of publication: Ghosh, Aloke Kumar; Pait, Moumita; Clérac, Rodolphe; Mathonière, Corine; Bertolasi, Valerio; Bauzá, Antonio; Frontera, Antonio; Pramanik, Kausikisankar; Ray, Debashis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 10
• Pages of publication: 4076 - 4085
• a: 24.6656 ± 0.0014 Å
• b: 24.6656 ± 0.0014 Å
• c: 16.6985 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8798.2 ± 0.9 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No