Information card for entry 7201565

Structure parameters

• Formula: C140 H90 N4 O18 Zn5
• Calculated formula: C140 H90 N4 O18 Zn5
• SMILES: c1c2ccccc2c(C2=[O][Zn]3(OC(=[O][Zn]45([n]6ccccc6c6[n]4cccc6)OC(=[O][Zn]46(O2)([O]=C(c2c7ccccc7cc7ccccc27)O[Zn]2(OC(=O)c7c8ccccc8cc8ccccc78)[O]=C(O[Zn]7([n]8c(c9[n]7cccc9)cccc8)([O]=C(O4)c4c7ccccc7cc7ccccc47)[O]62)c2c4ccccc4cc4ccccc24)[O]35)c2c3ccccc3cc3ccccc23)c2c3ccccc3cc3ccccc23)OC(=O)c2c3ccccc3cc3ccccc23)c2ccccc12
• Title of publication: Zinc(ii) coordination architectures with two bulky anthracene-based carboxylic ligands: crystal structures and luminescent properties
• Authors of publication: Wang, Jun-Jie; Liu, Chun-Sen; Hu, Tong-Liang; Chang, Ze; Li, Cai-Yun; Yan, Li-Fen; Chen, Pei-Quan; Bu, Xian-He; Wu, Qiang; Zhao, Li-Juan; Wang, Zhe; Zhang, Xin-Zheng
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 681
• a: 14.013 ± 0.002 Å
• b: 15.329 ± 0.003 Å
• c: 15.464 ± 0.003 Å
• α: 67.147 ± 0.002°
• β: 65.165 ± 0.002°
• γ: 83.999 ± 0.003°
• Cell volume: 2771.1 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0872
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.1744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No