Information card for entry 2218809

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[aquabis(1H-imidazole-κN^3^)copper(II)]- μ-naphthalene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^] dihydrate]
• Formula: C18 H20 Cu N4 O7
• Calculated formula: C18 H20 Cu N4 O7
• Title of publication: <i>catena</i>-Poly[[[aquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)]-μ-naphthalene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^] dihydrate]
• Authors of publication: Li, Jun-Hua; Nie, Jing-Jing; Xu, Duan-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m948 - m949
• a: 12.571 ± 0.002 Å
• b: 14.698 ± 0.003 Å
• c: 12.636 ± 0.002 Å
• α: 90°
• β: 119.011 ± 0.006°
• γ: 90°
• Cell volume: 2041.8 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0482
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes