Information card for entry 7214751

Structure parameters

• Formula: C39 H31 N3 O22 Zn5
• Calculated formula: C39 H30 N3 O22 Zn5
• Title of publication: Assembly between various molecular-building-blocks for network diversity of zinc‒1,3,5-benzenetricarboxylate frameworks
• Authors of publication: Yang, Hui; Zhang, Hai-Xia; Hou, Duan-Chuan; Li, Tie-Hu; Zhang, Jian
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 8684
• a: 18.06 ± 0.012 Å
• b: 12.104 ± 0.008 Å
• c: 31.65 ± 0.02 Å
• α: 90°
• β: 90.48 ± 0.015°
• γ: 90°
• Cell volume: 6918 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1403
• Residual factor for significantly intense reflections: 0.1136
• Weighted residual factors for significantly intense reflections: 0.2915
• Weighted residual factors for all reflections included in the refinement: 0.3191
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No