Information card for entry 7207952

Structure parameters

• Formula: C45 H33 N2 O18 Zn3
• Calculated formula: C45 H33 N2 O18 Zn3
• Title of publication: Synthesis and characterization of two self-catenated networks and one case of pcu topology based on the mixed ligands
• Authors of publication: Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Liu, Peng-Jun
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 4205
• a: 13.006 ± 0.0013 Å
• b: 13.637 ± 0.0014 Å
• c: 14.104 ± 0.0015 Å
• α: 79.971 ± 0.0017°
• β: 64.389 ± 0.0015°
• γ: 71.276 ± 0.0015°
• Cell volume: 2134.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1262
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No