Information card for entry 2209653

Structure parameters

• Chemical name: mer-Bis(diethylenetriamine)zinc(II) dichloride
• Formula: C8 H26 Cl2 N6 Zn
• Calculated formula: C8 H26 Cl2 N6 Zn
• SMILES: [Zn]1234([NH2]CC[NH]1CC[NH2]2)[NH2]CC[NH]3CC[NH2]4.[Cl-].[Cl-]
• Title of publication: <i>mer</i>-Bis(diethylenetriamine)zinc(II) dichloride
• Authors of publication: Butcher, Ray J.; Muratore, Nicole; Purdy, Andrew P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1562 - m1564
• a: 11.2492 ± 0.0009 Å
• b: 10.881 ± 0.0009 Å
• c: 12.4813 ± 0.001 Å
• α: 90°
• β: 93.218 ± 0.001°
• γ: 90°
• Cell volume: 1525.3 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0254
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes