Information card for entry 7007090

Structure parameters

• Formula: C90 H138 Cu3 N6 O15
• Calculated formula: C83 H120.58 Cu3 N6 O13.25
• 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: 7.5941 ± 0.0008 Å
• b: 33.013 ± 0.003 Å
• c: 21.558 ± 0.002 Å
• α: 90°
• β: 90.13 ± 0.002°
• γ: 90°
• Cell volume: 5404.7 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.2029
• Weighted residual factors for all reflections included in the refinement: 0.2178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No