Information card for entry 1551367

Structure parameters

• Formula: C423 H345 Cl Co10 F111 N76 O47 P7 S23
• Calculated formula: C407.5 H345 Cl Co10 F64.5 N68.5 O16 P7 S11.26
• 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: 70.759 ± 0.003 Å
• b: 79.508 ± 0.002 Å
• c: 81.13 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 456430 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.2646
• Residual factor for significantly intense reflections: 0.2374
• Weighted residual factors for significantly intense reflections: 0.5673
• Weighted residual factors for all reflections included in the refinement: 0.5905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.657
• Diffraction radiation wavelength: 0.6889 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No