Information card for entry 2239825

Structure parameters

• Common name: MC493_LT
• Chemical name: Poly[[<i>trans</i>-diaquabis[μ~2~-<i>trans</i>-4,4'-(diazenediyl)dipyridine]nickel(II)] diiodide ethanol disolvate]
• Formula: C24 H32 I2 N8 Ni O4
• Calculated formula: C24 H32 I2 N8 Ni O4
• Title of publication: Crystal structure of poly[[<i>trans</i>-diaquabis[μ~2~-<i>trans</i>-4,4'-(diazenediyl)dipyridine]nickel(II)] diiodide ethanol disolvate]
• Authors of publication: Perles, Josefina; Cortijo, Miguel; Herrero, Santiago
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: m314 - m315
• a: 8.6367 ± 0.0011 Å
• b: 13.2598 ± 0.0016 Å
• c: 13.4188 ± 0.0014 Å
• α: 90°
• β: 101.737 ± 0.003°
• γ: 90°
• Cell volume: 1504.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes