Information card for entry 7057172

Structure parameters

• Formula: C17 H9 Cd N4 O4
• Calculated formula: C17 H9 Cd N4 O4
• Title of publication: Two luminescent transition-metal‒organic frameworks with a predesigned ligand as highly sensitive and selective iron(iii) sensors
• Authors of publication: Zhang, Jian; Zhao, Lili; Liu, Yinxia; Li, Mingyue; Li, Gang; Meng, Xiangru
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 9
• Pages of publication: 6839
• a: 12.5212 ± 0.0009 Å
• b: 10.3722 ± 0.0006 Å
• c: 13.4774 ± 0.0008 Å
• α: 90°
• β: 111.045 ± 0.007°
• γ: 90°
• Cell volume: 1633.59 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0369
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No