Information card for entry 7201570

Structure parameters

• Formula: C44 H29 N4 O6 Zn
• Calculated formula: C44 H29 N4 O6 Zn
• 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: 9.6712 ± 0.0002 Å
• b: 26.8053 ± 0.0004 Å
• c: 13.5499 ± 0.0002 Å
• α: 90°
• β: 92.768 ± 0.001°
• γ: 90°
• Cell volume: 3508.57 ± 0.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0411
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No