Information card for entry 2220371

Structure parameters

• Chemical name: Poly[4,4'-iminodipyridinium [di-μ~4~-isophthalato-κ^4^O:O':O'':O''-di-μ~3~-isophthalato- κ^3^O:O':O'';κ^4^O:O':O'',O'''-trizinc(II)] dihydrate]
• Formula: C42 H31 N3 O18 Zn3
• Calculated formula: C42 H29 N3 O18 Zn3
• Title of publication: Poly[4,4'-iminodipyridinium [di-μ~4~-isophthalato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''-di-μ~3~-isophthalato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'';κ^4^<i>O</i>:<i>O</i>':<i>O</i>'',<i>O</i>'''-trizinc(II)] dihydrate]
• Authors of publication: Braverman, Maxwell A.; LaDuca, Robert L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1601
• a: 9.578 ± 0.0013 Å
• b: 10.2149 ± 0.0014 Å
• c: 21.246 ± 0.003 Å
• α: 78.801 ± 0.002°
• β: 86.868 ± 0.002°
• γ: 87.773 ± 0.002°
• Cell volume: 2035.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes