Information card for entry 7046343

Structure parameters

• Formula: C22 H26 N4 O8 Zn
• Calculated formula: C22 H26 N4 O8 Zn
• Title of publication: Peptide metal-organic frameworks under pressure: flexible linkers for cooperative compression.
• Authors of publication: Navarro-Sánchez, José; Mullor-Ruíz, Ismael; Popescu, Catalin; Santamaría-Pérez, David; Segura, Alfredo; Errandonea, Daniel; González-Platas, Javier; Martí-Gastaldo, Carlos
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 31
• Pages of publication: 10654 - 10659
• a: 7.3494 ± 0.0005 Å
• b: 5.3119 ± 0.0004 Å
• c: 26.31 ± 0.016 Å
• α: 90°
• β: 98.483 ± 0.017°
• γ: 90°
• Cell volume: 1015.9 ± 0.6 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Ambient diffracton pressure: 1520000 ± 40000 kPa
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.3185 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No