Information card for entry 1552062

Structure parameters

• Formula: C10.42 H18.85 N4 O8 Zn
• Calculated formula: C10.42 H18.84 N4 O8 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: 11.151 ± 0.012 Å
• b: 14.586 ± 0.016 Å
• c: 4.837 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 786.7 ± 1.5 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: 0.112
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.2135
• Weighted residual factors for all reflections included in the refinement: 0.2303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No