Information card for entry 4316908

Structure parameters

• Formula: C114 H100 Cl4 Cu4 F12 N2 O4 P10
• Calculated formula: C114 H100 Cl4 Cu4 F11.552 N2 O4 P10
• Title of publication: One-Pot Conditional Self-Assembly of Multicopper Metallacycles
• Authors of publication: Kom-Bei Shiu; Shih-An Liu; Gene-Hsiang Lee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9902 - 9908
• a: 15.506 ± 0.003 Å
• b: 22.758 ± 0.004 Å
• c: 16.992 ± 0.003 Å
• α: 90°
• β: 113.779 ± 0.003°
• γ: 90°
• Cell volume: 5487.2 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1676
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1581
• Weighted residual factors for all reflections included in the refinement: 0.1857
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No