Information card for entry 7123061

Structure parameters

• Common name: {[Zn2(3-bpep)2(2,5-FDC)2]?1.5H2O}n
• Chemical name: 1
• Formula: C128 H80 N16 O21 Zn4
• Calculated formula: C128 H80 N16 O21 Zn4
• Title of publication: Reversible dielectric switching behavior of a 1D coordination polymer induced by photo and thermal irradiation
• Authors of publication: SiMa, Jia-Yun; Li, Hong-Xi; Young, david James; Braunstein, Pierre; Lang, Jian-Ping
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 11.303 ± 0.002 Å
• b: 16.818 ± 0.003 Å
• c: 17.303 ± 0.004 Å
• α: 114.03 ± 0.03°
• β: 91.59 ± 0.03°
• γ: 103.58 ± 0.03°
• Cell volume: 2891.8 ± 1.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0907
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1805
• Weighted residual factors for all reflections included in the refinement: 0.1963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No