Information card for entry 1551394

Structure parameters

• Formula: C618 H355.5 B5.5 Co12 F133 N117 O74 S37
• Calculated formula: C581 H355.5 B5.5 Co12 F22 N98.5
• 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: 40.2042 ± 0.0009 Å
• b: 54.2465 ± 0.0018 Å
• c: 40.2935 ± 0.0009 Å
• α: 90°
• β: 90.408 ± 0.002°
• γ: 90°
• Cell volume: 87875 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1676
• Residual factor for significantly intense reflections: 0.1492
• Weighted residual factors for significantly intense reflections: 0.3951
• Weighted residual factors for all reflections included in the refinement: 0.4133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.289
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No