Information card for entry 4316911

Structure parameters

• Formula: C61 H59 B2 Cl8 Cu2 F8 N O2 P4
• Calculated formula: C61 H59 B2 Cl8 Cu2 F8 N O2 P4
• 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: 12.578 ± 0.005 Å
• b: 20.407 ± 0.008 Å
• c: 27.288 ± 0.01 Å
• α: 90°
• β: 102.702 ± 0.006°
• γ: 90°
• Cell volume: 6833 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• 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: 0.0979
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1901
• Weighted residual factors for all reflections included in the refinement: 0.2085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No