Information card for entry 7202071

Structure parameters

• Formula: C36 H56 N12 O16 S Zn
• Calculated formula: C36 H56 N12 O16 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: 13.3717 ± 0.0009 Å
• b: 13.695 ± 0.0009 Å
• c: 24.4168 ± 0.0017 Å
• α: 90°
• β: 96.412 ± 0.001°
• γ: 90°
• Cell volume: 4443.4 ± 0.5 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: 0.0722
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No