Information card for entry 2218459

Structure parameters

• Formula: C8 H26 Cd I2 N6
• Calculated formula: C8 H26 Cd I2 N6
• SMILES: [Cd]1234([NH2]CC[NH]1CC[NH2]2)[NH2]CC[NH]3CC[NH2]4.[I-].[I-]
• Title of publication: Bis(diethylenetriamine)cadmium(II) diiodide
• Authors of publication: Huang, Bei; Liu, Zhigang; Wang, Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m762
• a: 9.8842 ± 0.0009 Å
• b: 15.1947 ± 0.0011 Å
• c: 12.4209 ± 0.0009 Å
• α: 90°
• β: 100.204 ± 0.006°
• γ: 90°
• Cell volume: 1836 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.034
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes