Information card for entry 4514174

Structure parameters

• Formula: C42 H25 N18 O7 Zn3
• Calculated formula: C42 H24 N18 O7 Zn3
• Title of publication: Dual-Emitting Dye@MOF Composite as a Self-Calibrating Sensor for 2,4,6-Trinitrophenol.
• Authors of publication: Chen, Di-Ming; Zhang, Nan-Nan; Liu, Chun-Sen; Du, Miao
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2017
• Journal volume: 9
• Journal issue: 29
• Pages of publication: 24671 - 24677
• a: 16.7486 ± 0.0003 Å
• b: 16.7486 ± 0.0003 Å
• c: 19.0019 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4616.2 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1935
• Weighted residual factors for all reflections included in the refinement: 0.1947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No