Information card for entry 2018764

Structure parameters

• Chemical name: poly[(μ~3~-phthalato)[μ~2~-3-(pyridin-2-yl)-1<i>H</i>-pyrazol-1- ido]dicopper(II)]
• Formula: C24 H16 Cu2 N6 O4
• Calculated formula: C24 H16 Cu2 N6 O4
• Title of publication: Controllable assembly of a three-dimensional metal‒organic supramolecular framework including π‒π stacking interactions
• Authors of publication: Cai, Hua; Guo, Ying; Li, Jian-Gang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: 8 - 10
• a: 7.752 ± 0.002 Å
• b: 20.566 ± 0.007 Å
• c: 14.141 ± 0.004 Å
• α: 90°
• β: 99.639 ± 0.006°
• γ: 90°
• Cell volume: 2222.6 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0591
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes