Information card for entry 2218746

Structure parameters

• Chemical name: Pentaaqua(1<i>H</i>-benzimidazole-5,6-dicarboxylato-κN^3^)copper(II) pentahydrate
• Formula: C9 H24 Cu N2 O14
• Calculated formula: C9 H24 Cu N2 O14
• SMILES: [Cu]([n]1c[nH]c2c1cc(c(c2)C(=O)[O-])C(=O)[O-])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O.O
• Title of publication: Pentaaqua(1<i>H</i>-benzimidazole-5,6-dicarboxylato-κ<i>N</i>^3^)copper(II) pentahydrate
• Authors of publication: Gao, Qian; Gao, Wei-Hong; Zhang, Chao-Yan; Xie, Ya-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m928
• a: 6.8449 ± 0.0005 Å
• b: 11.4381 ± 0.0008 Å
• c: 12.3549 ± 0.0009 Å
• α: 78.1549 ± 0.0001°
• β: 78.6224 ± 0.0001°
• γ: 74.8804 ± 0.0001°
• Cell volume: 903.29 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0402
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes