Information card for entry 4511294

Structure parameters

• Formula: C68 H64 Cd3 N4 O30
• Calculated formula: C60 H24 Cd3 O30
• Title of publication: Luminescent Anionic Metal‒Organic Framework with Potential Nitrobenzene Sensing
• Authors of publication: He, Yuan-Chun; Zhang, Hong-Mei; Liu, Ying-Ying; Zhai, Qiu-Yi; Shen, Qiu-Tong; Song, Shu-Yan; Ma, Jian-Fang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 3174
• a: 21.788 ± 0.0002 Å
• b: 21.788 ± 0.0002 Å
• c: 23.621 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11213.3 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 138
• Hermann-Mauguin space group symbol: P 42/n c m :2
• Hall space group symbol: -P 4ac 2ac
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.1853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No