Information card for entry 7007086

Structure parameters

• Formula: C48 H49 Cu3 O12.5
• Calculated formula: C48 H48 Cu3 O12.5
• Title of publication: Extended three-dimensional supramolecular architectures derived from trinuclear (bis-beta-diketonato)copper(II) metallocycles.
• Authors of publication: Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.; Schilter, David
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 25
• Pages of publication: 3114 - 3121
• a: 10.2001 ± 0.0008 Å
• b: 14.7227 ± 0.0012 Å
• c: 15.3507 ± 0.0013 Å
• α: 80.131 ± 0.001°
• β: 87.5 ± 0.001°
• γ: 78.15 ± 0.001°
• Cell volume: 2222.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No