Information card for entry 2219346

Structure parameters

• Chemical name: Poly[aqua[μ~2~-1,1'-(butane-1,4-diyl)diimidazole](μ~2~-naphthalene-1,4- dicarboxylato)nickel(II)]
• Formula: C22 H22 N4 Ni O5
• Calculated formula: C22 H22 N4 Ni O5
• Title of publication: Poly[aqua[μ~2~-1,1'-(butane-1,4-diyl)diimidazole](μ~2~-naphthalene-1,4-dicarboxylato)nickel(II)]
• Authors of publication: Zou, Xian-Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1105
• a: 12.4213 ± 0.0012 Å
• b: 13.2543 ± 0.0013 Å
• c: 13.4328 ± 0.0013 Å
• α: 90°
• β: 107.361 ± 0.002°
• γ: 90°
• Cell volume: 2110.8 ± 0.4 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: 0.0728
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes