Information card for entry 2211762

Structure parameters

• Chemical name: Bis[(1H-benzimidazol-2-yl)methanol-κ^2^N,O](nitrato-κ^2^O,O')zinc(II) nitrate monohydrate
• Formula: C16 H18 N6 O9 Zn
• Calculated formula: C16 H18 N6 O9 Zn
• SMILES: [Zn]123([OH]Cc4[n]2c2ccccc2[nH]4)([OH]Cc2[n]3c3ccccc3[nH]2)ON(=[O]1)=O.O=N(=O)[O-].O
• Title of publication: Bis[(1<i>H</i>-benzimidazol-2-yl)methanol-κ^2^<i>N</i>,<i>O</i>](nitrato-κ^2^<i>O</i>,<i>O</i>')zinc(II) nitrate monohydrate
• Authors of publication: Zhou, Yan-Ling; Zeng, Ming-Hua; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m15 - m16
• a: 8.2287 ± 0.0008 Å
• b: 9.6745 ± 0.0009 Å
• c: 13.542 ± 0.001 Å
• α: 81.506 ± 0.002°
• β: 80.678 ± 0.002°
• γ: 69.867 ± 0.002°
• Cell volume: 993.89 ± 0.15 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: 0.05
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.114
• 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