Information card for entry 2205783

Structure parameters

• Chemical name: Aquabis[2-(2-pyridyl)-1H-benzimidazolato]zinc(II)
• Formula: C24 H18 N6 O Zn
• Calculated formula: C24 H18 N6 O Zn
• SMILES: [Zn]12([OH2])(n3c4ccccc4nc3c3[n]1cccc3)n1c3ccccc3nc1c1[n]2cccc1
• Title of publication: Aquabis[2-(2-pyridyl)-1<i>H</i>-benzimidazolato]zinc(II)
• Authors of publication: Yang, Jian-Kui; Zeng, Ming-Hua; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m992 - m993
• a: 12.5448 ± 0.0008 Å
• b: 13.0525 ± 0.0008 Å
• c: 13.3493 ± 0.0009 Å
• α: 90°
• β: 102.731 ± 0.001°
• γ: 90°
• Cell volume: 2132.1 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes