Information card for entry 2235082

Structure parameters

• Chemical name: Bis(2-aminomethyl-1<i>H</i>-benzimidazole- κ^2^<i>N</i>^2^,<i>N</i>^3^)bis(nitrato-κ<i>O</i>)copper(II)
• Formula: C16 H18 Cu N8 O6
• Calculated formula: C16 H18 Cu N8 O6
• SMILES: c1ccc2c(c1)[n]1c([nH]2)C[NH2][Cu]21[NH2]Cc1[n]2c2ccccc2[nH]1.[O-]N(=O)=O.[O-]N(=O)=O
• Title of publication: Bis(2-aminomethyl-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^)bis(nitrato-κ<i>O</i>)copper(II)
• Authors of publication: Zhao, Jing; Zhang, Heng; Zhai, Xueliang; Zhu, Guoyi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m767
• a: 24.6913 ± 0.0008 Å
• b: 24.6913 ± 0.0008 Å
• c: 7.962 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4203.8 ± 0.3 ų
• Cell temperature: 184 ± 2 K
• Ambient diffraction temperature: 184 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes