Information card for entry 7249249

Structure parameters

• Formula: C54 H48 Cl2 N3 O21 Zr6
• Calculated formula: C54 H48 Cl2 N3 O21 Zr6
• Title of publication: One-step synthesis of pure-phase amino-functionalized zirconium-based capsule ZrC-1-NH2 for photocatalytic degradation of tetracycline
• Authors of publication: Xu, Ting-Ting; Wei, De-Sheng; Li, Shuangbao; Zhang, Yu-Teng; Lv, Nan
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 19.8615 ± 0.0012 Å
• b: 17.7218 ± 0.001 Å
• c: 17.2448 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6069.9 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1991
• Weighted residual factors for all reflections included in the refinement: 0.2027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No