Information card for entry 1552061

Structure parameters

• Formula: C12.43 H26.85 N4 O10 Zn
• Calculated formula: C12.426 H26.852 N4 O10 Zn
• Title of publication: Side-chain control of porosity closure in single- and multiple-peptide-based porous materials by cooperative folding
• Authors of publication: C. Marti-Gastaldo; D. Antypov; J. E. Warren; M. E. Briggs; P. A. Chater; P. V. Wiper; G. J. Miller; Y. Z. Khimyak; G. R. Darling; N. G. Berry; M. J. Rosseinsky
• Journal of publication: Nature Chemistry
• Year of publication: 2014
• Journal volume: 6
• Pages of publication: 343 - 351
• a: 13.8808 ± 0.001 Å
• b: 14.6838 ± 0.0011 Å
• c: 4.7401 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 966.14 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No