Information card for entry 2205035

Structure parameters

• Chemical name: Diaqua bis(6-nitro-3H-benzimidazol) copper(II) dinitrate
• Formula: C14 H14 Cu N8 O12
• Calculated formula: C14 H14 Cu N8 O12
• SMILES: c12ccc(cc2[n](c[nH]1)[Cu]([n]1c2c(ccc(c2)N(=O)=O)[nH]c1)(ON(=O)=O)(ON(=O)=O)([OH2])[OH2])N(=O)=O
• Title of publication: Diaquabis(5-nitro-1<i>H</i>-benzimidazole-κ<i>N</i>^3^)copper(II) dinitrate
• Authors of publication: Cai-Feng Ding; Shu-Sheng Zhang; Bing-Qing Tian; Xue-Mei Li; Hong Xu; Ping-Kai Ouyang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m235 - m236
• a: 7.2372 ± 0.0008 Å
• b: 8.1279 ± 0.0009 Å
• c: 9.1779 ± 0.001 Å
• α: 69.491 ± 0.002°
• β: 78.012 ± 0.002°
• γ: 84.999 ± 0.002°
• Cell volume: 494.57 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0317
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes