Information card for entry 2240490

Structure parameters

• Chemical name: Aquabis[2-(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)aniline-κ<i>N</i>]zinc dinitrate
• Formula: C26 H24 N8 O7 Zn
• Calculated formula: C26 H24 N8 O7 Zn
• SMILES: c12ccccc1[nH]c1[n]2[Zn]2([NH2]c3c1cccc3)([OH2])[n]1c3ccccc3[nH]c1c1ccccc1[NH2]2.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Crystal structure of aquabis[2-(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)aniline-κ<i>N</i>]zinc dinitrate
• Authors of publication: Kim, Yongtae; Kang, Sung Kwon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 4
• Pages of publication: m85 - m86
• a: 16.2892 ± 0.0009 Å
• b: 15.0782 ± 0.0008 Å
• c: 11.684 ± 0.0006 Å
• α: 90°
• β: 110.018 ± 0.0008°
• γ: 90°
• Cell volume: 2696.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes