Information card for entry 7007506

Structure parameters

• Formula: C58 H72 Cu2 N2 O10 S
• Calculated formula: C58 H72 Cu2 N2 O10 S
• Title of publication: New discrete and polymeric supramolecular architectures derived from dinuclear (bis-beta-diketonato)copper(II) metallocycles.
• Authors of publication: Clegg, Jack K.; Gloe, Karsten; Hayter, Michael J.; Kataeva, Olga; Lindoy, Leonard F.; Moubaraki, Boujemaa; McMurtrie, John C.; Murray, Keith S.; Schilter, David
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 33
• Pages of publication: 3977 - 3984
• a: 10.419 ± 0.0009 Å
• b: 15.5925 ± 0.0014 Å
• c: 18.4105 ± 0.0016 Å
• α: 99.271 ± 0.001°
• β: 102.7 ± 0.001°
• γ: 90.104 ± 0.001°
• Cell volume: 2877.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1116
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1694
• Weighted residual factors for all reflections included in the refinement: 0.1988
• 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