Information card for entry 2223063

Structure parameters

• Common name: trans-dioxidotetra(pyridine)rhenium(V) triiodide
• Chemical name: <i>trans</i>-dioxidotetra(pyridine)rhenium(V) triiodide
• Formula: C20 H20 I3 N4 O2 Re
• Calculated formula: C20 H20 I3 N4 O2 Re
• SMILES: O=[Re]([n]1ccccc1)([n]1ccccc1)(=O)([n]1ccccc1)[n]1ccccc1.I[I-]I
• Title of publication: <i>trans</i>-Dioxidotetrapyridinerhenium(V) triiodide
• Authors of publication: Siczek, Miłosz; Krawczyk, Marta S.; Lis, Tadeusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m1057
• a: 7.993 ± 0.003 Å
• b: 9.1 ± 0.003 Å
• c: 9.356 ± 0.003 Å
• α: 92.45 ± 0.04°
• β: 102.41 ± 0.04°
• γ: 104.1 ± 0.04°
• Cell volume: 641.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0304
• Weighted residual factors for all reflections included in the refinement: 0.0307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes