Information card for entry 7712121

Structure parameters

• Formula: C28 H16 N4 O4
• Calculated formula: C28 H16 N4 O4
• SMILES: O1c2c(Oc3nc(Oc4c(Oc5nc1cnc5)cc1c(c4)cccc1)cnc3)cc1ccccc1c2
• Title of publication: Luminescent MOFs constructed by using butterfly-like AIE ligands.
• Authors of publication: Dong, Pan-Pan; Liu, Yuan-Yuan; Peng, Qiu-Chen; Li, Hai-Yang; Li, Kai; Zang, Shuang-Quan; Tang, Ben Zhong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1913 - 1918
• a: 7.6216 ± 0.0003 Å
• b: 11.792 ± 0.0005 Å
• c: 13.0678 ± 0.0004 Å
• α: 77.628 ± 0.003°
• β: 88.737 ± 0.003°
• γ: 71.633 ± 0.004°
• Cell volume: 1087.43 ± 0.08 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1668
• Weighted residual factors for all reflections included in the refinement: 0.1802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No