Information card for entry 7243544

Structure parameters

• Formula: C24 H16.5 N2 O4.25 Zn
• Calculated formula: C24 H16 N2 O4.25 Zn
• Title of publication: Robust pyridylbenzoate metal–organic frameworks as sorbents for volatile solvents and gases
• Authors of publication: Ndamyabera, Christophe A.; Chatterjee, Nabanita; Oliver, Clive L.; Bourne, Susan A.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 40
• Pages of publication: 7162 - 7170
• a: 10.2197 ± 0.0005 Å
• b: 16.1263 ± 0.0008 Å
• c: 14.8826 ± 0.0007 Å
• α: 90°
• β: 98.059 ± 0.002°
• γ: 90°
• Cell volume: 2428.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0715
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No