Information card for entry 2011336

Structure parameters

• Common name: [Bis-Ethylendiamin-kupfer]bis-triiodid
• Chemical name: [Bis-1,2-Diaminoethan-kupfer]bis-triiodid
• Formula: C4 H16 Cu I6 N4
• Calculated formula: C4 H16 Cu I6 N4
• SMILES: [Cu]12([NH2]CC[NH2]1)[NH2]CC[NH2]2.[I-].II.[I-].II
• Title of publication: Bis-Triiodide von 1,2-Ethandiaminkomplexen am Beispiel des Metalls Kupfer
• 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: 1085 - 1087
• a: 7.49 ± 0.002 Å
• b: 13.4 ± 0.003 Å
• c: 18.639 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1870.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes