Information card for entry 1551366

Structure parameters

• Formula: C422 H343.5 Cl Co10 F114 N76 O46 P7.5 S23
• Calculated formula: C403.5 H343.5 Cl Co10 F58.5 N67 O9 P7.5 S7.51
• Title of publication: Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism
• Authors of publication: Imogen A. Riddell; Maarten M. J. Smulders; Jack K. Clegg; Yana R. Hristova; Boris Breiner; John D. Thoburn; Jonathan R. Nitschke
• Journal of publication: Nature Chemistry
• Year of publication: 2012
• Journal volume: 4
• Pages of publication: 751 - 756
• a: 70.5877 ± 0.0007 Å
• b: 79.1494 ± 0.001 Å
• c: 80.8163 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 451519 ± 9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 9
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.3405
• Residual factor for significantly intense reflections: 0.2186
• Weighted residual factors for significantly intense reflections: 0.5124
• Weighted residual factors for all reflections included in the refinement: 0.5616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.736
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No