Information card for entry 7240994

Structure parameters

• Formula: C6 H12 Cu2 I2 N12
• Calculated formula: C6 H12 Cu2 I2 N12
• Title of publication: One Cu(I)-I coordination polymer fluorescent chemosensor with amino-rich sites for nitro aromatic compounds (NACs) detection in water
• Authors of publication: Zhang, Yu; Yang, Qing Feng; Li, Xiaoping; Miao, Chengxia; Hou, Qin; Ai, Shiyun
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 4.0787 ± 0.0003 Å
• b: 9.0943 ± 0.0006 Å
• c: 10.9148 ± 0.0007 Å
• α: 82.327 ± 0.006°
• β: 80.162 ± 0.006°
• γ: 77.648 ± 0.006°
• Cell volume: 387.69 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No