Information card for entry 7245667

Structure parameters

• Formula: C27 H27 N13 O5 Zn2
• Calculated formula: C27 H27 N13 O5 Zn2
• Title of publication: Adenine-based bio-MOFs with high water and acid–base stability for ammonia capture
• Authors of publication: Ruan, Mingming; Li, Anqi; Wen, Yaping; Zhou, Lian; Zhang, Jun; Xuan, Xiaopeng
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 17.6657 ± 0.0003 Å
• b: 11.3205 ± 0.0002 Å
• c: 8.8645 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1772.76 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No