Information card for entry 2101337

Structure parameters

• Formula: C30 H40 I6 N4 O4
• Calculated formula: C32 H40 I6 N4 O4
• Title of publication: Tetramethylpyrazinium polyiodides
• Authors of publication: Bailey, R. D.; Pennington, W. T.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 810 - 815
• a: 7.679 ± 0.002 Å
• b: 12.52 ± 0.004 Å
• c: 10.774 ± 0.003 Å
• α: 90°
• β: 100.6 ± 0.02°
• γ: 90°
• Cell volume: 1018.1 ± 0.5 ų
• Cell temperature: 294 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.0979
• Goodness-of-fit parameter for significantly intense reflections: 2.69
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No