Information card for entry 1551392

Structure parameters

• Formula: C628.5 H496.5 B115.5 Co12 F81 N117 O54 S27
• Calculated formula: C586.5 H489.75 B126 Co12 N101.25
• Title of publication: Stereochemical plasticity modulates cooperative binding in a CoII12L6 cuboctahedron
• Authors of publication: Felix J. Rizzuto; Jonathan R. Nitschke
• Journal of publication: Nature Chemistry
• Year of publication: 2017
• Journal volume: 10
• Pages of publication: 903 - 908
• a: 48.517 ± 0.005 Å
• b: 48.517 ± 0.005 Å
• c: 64.134 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 130740 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1767
• Residual factor for significantly intense reflections: 0.1491
• Weighted residual factors for significantly intense reflections: 0.3782
• Weighted residual factors for all reflections included in the refinement: 0.3995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No