Information card for entry 7008188

Structure parameters

• Formula: C55 H63 Cu2 N3 O8
• Calculated formula: C55 H63 Cu2 N3 O8
• Title of publication: Dinuclear bis-beta-diketonato ligand derivatives of iron(III) and copper(II) and use of the latter as components for the assembly of extended metallo-supramolecular structures.
• 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: 2005
• Journal issue: 5
• Pages of publication: 857 - 864
• a: 8.4084 ± 0.0016 Å
• b: 10.0249 ± 0.0019 Å
• c: 17.246 ± 0.003 Å
• α: 97.396 ± 0.003°
• β: 99.356 ± 0.003°
• γ: 110.158 ± 0.003°
• Cell volume: 1319.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1024
• 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