Information card for entry 2011335

Structure parameters

• Common name: Tris-Ethylendiamin-nickeltetraiodid
• Chemical name: Tris(1,2-diaminoethan)nickeltriiodid-iodid
• Formula: C6 H24 I4 N6 Ni
• Calculated formula: C6 H24 I4 N6 Ni
• SMILES: C1C[NH2][Ni]23([NH2]1)([NH2]CC[NH2]3)[NH2]CC[NH2]2.[I-](I)I.[I-]
• Title of publication: Tetraiodide von Tris(1,2-ethandiamin)komplexen der Metalle Zink und Nickel
• Authors of publication: Wieczorrek, Carsten
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 1079 - 1081
• a: 14.67 ± 0.001 Å
• b: 14.67 Å
• c: 17.754 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3820.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for all reflections included in the refinement: 0.0516
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes