Information card for entry 7202068

Structure parameters

• Formula: C16 H32 N6 O13 S Zn
• Calculated formula: C16 H32 N6 O13 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: 7.6927 ± 0.0007 Å
• b: 9.7564 ± 0.0009 Å
• c: 17.2857 ± 0.0017 Å
• α: 81.067 ± 0.002°
• β: 81.968 ± 0.002°
• γ: 86.102 ± 0.002°
• Cell volume: 1267.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No