Information card for entry 2225963

Structure parameters

• Chemical name: Aqua(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(pyridine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)copper(II) 0.75-hydrate
• Formula: C14 H12.5 Cu N3 O5.75
• Calculated formula: C14 H12.5 Cu N3 O5.75
• Title of publication: Aqua(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)copper(II) 0.75-hydrate
• Authors of publication: Dong, Gui-Ying; Fan, Li-Hua; Yang, Li-Xia; Khan, Islam Ullah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m532
• a: 8.6388 ± 0.0017 Å
• b: 17.692 ± 0.004 Å
• c: 9.783 ± 0.002 Å
• α: 90°
• β: 97.78 ± 0.03°
• γ: 90°
• Cell volume: 1481.4 ± 0.5 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: 0.0668
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes