Information card for entry 7113433

Structure parameters

• Common name: Poly-(dipicolylglycyl-S-phenylalanine-zinc(ii) trifluormethanesulfonate)
• Chemical name: Poly-(dipicolylglycyl-S-phenylalanine- zinc(II) trifluormethanesulfonate)
• Formula: C24 H28.67 F3 N4 O8.83 S Zn
• Calculated formula: C24 H23 F3 N4 O8.83333 S Zn
• Title of publication: Dipicolylglycyl-phenylalanine zinc(II): a metallopeptide with a built-in conformational switch and its homochiral helical coordination polymer
• Authors of publication: Niklas, Nicole; Hampel, Frank; Alsfasser, Ralf
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 13
• Pages of publication: 1586 - 1587
• a: 14.8038 ± 0.0001 Å
• b: 26.8171 ± 0.0001 Å
• c: 21.9026 ± 0.0001 Å
• α: 90°
• β: 92.039 ± 0.001°
• γ: 90°
• Cell volume: 8689.72 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.2185
• Weighted residual factors for all reflections included in the refinement: 0.2283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.725
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103725
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No