Information card for entry 4504743

Structure parameters

• Common name: 5
• Formula: C22 H20 Cl2 N8 O10 Zn
• Calculated formula: C22 H20 Cl2 N8 O10 Zn
• 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: 16.9462 ± 0.0015 Å
• b: 16.9462 ± 0.0015 Å
• c: 18.477 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5306.1 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.381
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No