Information card for entry 7220328

Structure parameters

• Formula: C40 H45 N2 O18 Zn4
• Calculated formula: C38 H41 N4 O18 Zn4
• Title of publication: Structural variability, unusual thermochromic luminescence and nitrobenzene sensing properties of five Zn(ii) coordination polymers assembled from a terphenyl-hexacarboxylate ligand
• Authors of publication: Wan, Xiu-Yan; Jiang, Fei-Long; Chen, Lian; Pan, Jie; Zhou, Kang; Su, Kong-Zhao; Pang, Jian-Dong; Lyu, Guang-Xun; Hong, Mao-Chun
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 20
• Pages of publication: 3829
• a: 17.0549 ± 0.0003 Å
• b: 15.3986 ± 0.0003 Å
• c: 23.0104 ± 0.0005 Å
• α: 90°
• β: 102.754 ± 0.002°
• γ: 90°
• Cell volume: 5893.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.25
• Weighted residual factors for all reflections included in the refinement: 0.2626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No