Information card for entry 1551393

Structure parameters

• Formula: C764 H707 B264 Co12 N115 O
• Calculated formula: C744 H693.244 B276 Co12 N117 O
• 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: 26.438 ± 0.013 Å
• b: 30.374 ± 0.016 Å
• c: 31.047 ± 0.01 Å
• α: 67.3 ± 0.04°
• β: 84.86 ± 0.04°
• γ: 78.93 ± 0.07°
• Cell volume: 22569 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1467
• Residual factor for significantly intense reflections: 0.1303
• Weighted residual factors for significantly intense reflections: 0.3477
• Weighted residual factors for all reflections included in the refinement: 0.3628
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No