Information card for entry 2021319

Structure parameters

• Chemical name: Poly[bis(μ~4~-benzene-1,4-dicarboxylato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4^)bis{μ~2~-[bis(2-hydroxyethyl)amino]ethanolato-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'':κ<i>O</i>}tricopper(II)]
• Formula: C14 H18 Cu1.5 N O7
• Calculated formula: C14 H18 Cu1.5 N O7
• Title of publication: Controlled interpenetration of 4^4^ networks: syntheses and structures of two Cu~3~-cluster coordination polymers
• Authors of publication: Sun, Guanghui; Xie, Weilian; Xiao, Hong; Xu, Guohai
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 11
• a: 11.1485 ± 0.0012 Å
• b: 10.8671 ± 0.0012 Å
• c: 13.2125 ± 0.0014 Å
• α: 90°
• β: 107.631 ± 0.002°
• γ: 90°
• Cell volume: 1525.5 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes