Information card for entry 7713212

Structure parameters

• Formula: C62 H52 N34 O20 Zn7
• Calculated formula: C62 H52 N34 O20 Zn7
• Title of publication: Amino decorated adenine based metal-organic framework for multi-faceted applications.
• Authors of publication: Eskemech, Alehegn; Gambhir, Diksha; Kaur, Harpreet; Karmakar, Anirban; Koner, Rik Rani
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 12.0452 ± 0.0007 Å
• b: 14.2181 ± 0.0007 Å
• c: 18.0667 ± 0.0011 Å
• α: 104.144 ± 0.005°
• β: 98.797 ± 0.005°
• γ: 94.93 ± 0.004°
• Cell volume: 2940.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No