Information card for entry 7202070

Structure parameters

• Formula: C34 H52 N12 O14 S Zn
• Calculated formula: C34 H36 N12 O14 S Zn
• Title of publication: Zn(II) metal‒organic frameworks (MOFs) derived from a bis-pyridyl-bis-urea ligand: effects of crystallization solvents on the structures and anion binding properties
• Authors of publication: Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 1565
• a: 13.1959 ± 0.0016 Å
• b: 13.9981 ± 0.0017 Å
• c: 23.607 ± 0.003 Å
• α: 90°
• β: 94.712 ± 0.002°
• γ: 90°
• Cell volume: 4345.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1297
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.2163
• Weighted residual factors for all reflections included in the refinement: 0.2359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.31
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No