Information card for entry 7232449

Structure parameters

• Formula: C61 H60 N16 O14 Zn2
• Calculated formula: C61 H60 N16 O14 Zn2
• Title of publication: Two triphenylamine-based luminescent metal‒organic frameworks as a dual-functional sensor for the detection of nitroaromatic compounds and ofloxacin antibiotic
• Authors of publication: Yao, Xiao-Qiang; Xiao, Guo-Bin; Xie, Hua; Qin, Dong-Dong; Ma, Heng-Chang; Liu, Jia-Cheng; Yan, Pen-Ji
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 15
• Pages of publication: 2559
• a: 8.2598 ± 0.0006 Å
• b: 13.977 ± 0.0011 Å
• c: 30.125 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3477.8 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 17
• Hermann-Mauguin space group symbol: P 2 2 21
• Hall space group symbol: P 2c 2
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No