Information card for entry 7046342

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: 7.0813 ± 0.0019 Å
• b: 5.2012 ± 0.0011 Å
• c: 25.88 ± 0.1 Å
• α: 90°
• β: 99.31 ± 0.1°
• γ: 90°
• Cell volume: 941 ± 4 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Ambient diffracton pressure: 3950000 ± 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: 0.1273
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.2042
• Weighted residual factors for all reflections included in the refinement: 0.242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.3185 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No