Information card for entry 7063269

Structure parameters

• Formula: C74.5 H71 N4 Ni2 O15
• Calculated formula: C74.503 H71.008 N4 Ni2 O15.001
• Title of publication: A photochromic metal-organic framework with rare 3-D self-interpenetrated architecture and ultrahigh MnO4- sensing ability
• Authors of publication: Zhang, Jinfang; Yue, Yinlong; Tao, Xingyu; Zhang, Jiarun; Yin, Dejing; Zhang, Chi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 14.8356 ± 0.0006 Å
• b: 17.6855 ± 0.0008 Å
• c: 27.7286 ± 0.0013 Å
• α: 90°
• β: 105.359 ± 0.002°
• γ: 90°
• Cell volume: 7015.5 ± 0.5 ų
• Cell temperature: 296.15 ± 0.1 K
• Ambient diffraction temperature: 296.15 ± 0.1 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: 0.0868
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.2044
• Weighted residual factors for all reflections included in the refinement: 0.2317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No