Information card for entry 4344929

Structure parameters

• Formula: C20 H21 Cu N3 O10
• Calculated formula: C20 H21 Cu N3 O10
• Title of publication: Hydrogen Uptake by an Inclined Polycatenated Dynamic Metal-Organic Framework Based Material.
• Authors of publication: Maity, Dilip Kumar; Halder, Arijit; Pahari, Goutam; Haque, Fazle; Ghoshal, Debajyoti
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• a: 12.743 ± 0.005 Å
• b: 10.874 ± 0.005 Å
• c: 17.709 ± 0.005 Å
• α: 90 ± 0.005°
• β: 103.198 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2389.1 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No