Information card for entry 7244536

Structure parameters

• Formula: C46 H28 N4 O18 Zn3
• Calculated formula: C46 H28 N4 O18 Zn3
• Title of publication: Metal–organic framework bearing new viologen ligand for ammonia and Cr2O72− sensing
• Authors of publication: Zhu, Baili; Jin, Yunpeng; Chu, Jingying; Zuo, Minghui; Cui, Shuxin
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 6951 - 6957
• a: 18.6073 ± 0.0015 Å
• b: 8.0235 ± 0.0007 Å
• c: 27.301 ± 0.002 Å
• α: 90°
• β: 90.501 ± 0.002°
• γ: 90°
• Cell volume: 4075.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No