Information card for entry 4504741

Structure parameters

• Common name: 3
• Formula: C22 H20 Cu N10 O8
• Calculated formula: C22 H20 Cu N10 O8
• Title of publication: Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups
• Authors of publication: Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 555
• a: 6.722 ± 0.0009 Å
• b: 26.649 ± 0.004 Å
• c: 17.515 ± 0.002 Å
• α: 90°
• β: 92.445 ± 0.003°
• γ: 90°
• Cell volume: 3134.7 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1144
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No