Information card for entry 7007087

Structure parameters

• Formula: C73 H86 Cu3 N2 O15.75
• Calculated formula: C73 H82 Cu3 N2 O15.75
• 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: 15.0084 ± 0.0018 Å
• b: 15.8591 ± 0.0018 Å
• c: 17.91 ± 0.002 Å
• α: 112.6 ± 0.002°
• β: 103.553 ± 0.002°
• γ: 101.522 ± 0.002°
• Cell volume: 3621 ± 0.7 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: 0.0819
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1961
• Weighted residual factors for all reflections included in the refinement: 0.2119
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No