Information card for entry 1552057

Structure parameters

• Common name: Zinc(GlySer)2 H2O MeOH
• Chemical name: Zinc(GlySer)2 H2O MeOH
• Formula: C11.67 H26.67 N4 O10.67 Zn
• Calculated formula: C11.66 H26.64 N4 O10.66 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: 14.0129 ± 0.001 Å
• b: 14.6036 ± 0.001 Å
• c: 4.7205 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 966 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0586
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No