Information card for entry 4316910

Structure parameters

• Formula: C225 H194 B2 Cl2 Cu8 F8 N4 O8 P16
• Calculated formula: C225 H194 B2 Cl2 Cu8 F8 N4 O8 P16
• 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: 14.564 ± 0.002 Å
• b: 22.88 ± 0.003 Å
• c: 23.563 ± 0.003 Å
• α: 61.091 ± 0.002°
• β: 80.927 ± 0.002°
• γ: 81.605 ± 0.002°
• Cell volume: 6765.2 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1629
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1754
• Weighted residual factors for all reflections included in the refinement: 0.1978
• Goodness-of-fit parameter for all reflections included in the refinement: 0.817
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No