Information card for entry 2018782

Structure parameters

• Chemical name: Tris[2-(1,3-thiazol-2-yl-κ<i>N</i>)-1<i>H</i>-benzimidazole- κ<i>N</i>^3^]zinc(II) dinitrate ethanol hemisolvate monohydrate
• Formula: C31 H26 N11 O7.5 S3 Zn12
• Calculated formula: C31 H26 N11 O7.5 S3 Zn
• Title of publication: Tris[2-(1,3-thiazol-2-yl-κ<i>N</i>)-1<i>H</i>-benzimidazole-κ<i>N</i>^3^]zinc(II) dinitrate ethanol hemisolvate monohydrate at~100K
• Authors of publication: Oliveira, F. L.; Huber, P. C.; Almeida, W. P.; Sabino, J. R.; Aparicio, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: 119 - 122
• a: 10.4687 ± 0.0002 Å
• b: 12.8659 ± 0.0003 Å
• c: 13.8539 ± 0.0003 Å
• α: 83.28 ± 0.001°
• β: 84.374 ± 0.001°
• γ: 69.611 ± 0.001°
• Cell volume: 1733.76 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes