Information card for entry 2003017

Structure parameters

• Formula: C6 H14 I2 N2 O2 Zn
• Calculated formula: C6 H14 I2 N2 O2 Zn
• SMILES: [Zn](I)(I)([O]=CN(C)C)[O]=CN(C)C
• Title of publication: A Reversible Non-disruptive Phase Transition Shown by the Zinc Iodide Dimethylformamide Complex ZnI~2~(dmf)~2~
• Authors of publication: Edwards, R. A.; Easteal, A. J.; Gladkikh, O. P.; Robinson, W. T.; Turnbull, M. M.; Wilkins, C. J.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 663 - 670
• a: 13.819 ± 0.003 Å
• b: 13.543 ± 0.003 Å
• c: 15.559 ± 0.005 Å
• α: 90°
• β: 110.29 ± 0.02°
• γ: 90°
• Cell volume: 2731.2 ± 1.3 ų
• Cell temperature: 131 ± 2 K
• Ambient diffraction temperature: 131 ± 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: 0.0583
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections: 0.2139
• Weighted residual factors for significantly intense reflections: 0.1263
• Goodness-of-fit parameter for all reflections: 1.122
• Goodness-of-fit parameter for significantly intense reflections: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No