Information card for entry 7200945

Structure parameters

• Formula: C36 H25 F4 N12 O8.5 Zn4
• Calculated formula: C36 H24 F4 N12 O8.5 Zn4
• Title of publication: Influence of noncovalent intermolecular interactions on crystal packing: syntheses and crystal structures of three layered Zn(ii)/1,2,4-triazole/carboxylate coordination polymers
• Authors of publication: Song, Zhe; Gao, Hongze; Li, Guanghua; Yu, Yang; Shi, Zhan; Feng, Shouhua
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 1579
• a: 9.7277 ± 0.0003 Å
• b: 9.7907 ± 0.0003 Å
• c: 23.6034 ± 0.001 Å
• α: 78.835 ± 0.002°
• β: 78.848 ± 0.002°
• γ: 88.953 ± 0.002°
• Cell volume: 2163.39 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1204
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.2021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No