Information card for entry 4504233

Structure parameters

• Formula: C24 H22 N8 O8 Zn
• Calculated formula: C24 H22 N8 O8 Zn
• SMILES: [OH2][Zn]([n]1ccc(cc1)c1[nH]c2ccccc2n1)([n]1ccc(cc1)c1[nH]c2ccccc2n1)(ON(=O)=O)(ON(=O)=O)[OH2]
• Title of publication: Dimension Increase via Hydrogen Bonding and Weak Coordination Interactions from Simple Complexes of 2-(Pyridyl)benzimidazole Ligands
• Authors of publication: Li, Xiang-Ping; Pan, Mei; Zheng, Sheng-Run; Liu, Yong-Ru; He, Qi-Ting; Kang, Bei-Sheng; Su, Cheng-Yong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 2481
• a: 7.426 Å
• b: 8.957 Å
• c: 9.773 Å
• α: 97.17°
• β: 105.17°
• γ: 90.86°
• Cell volume: 621.718 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: 0.0303
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No