Information card for entry 2007738

Structure parameters

• Formula: C12 H24 Cl2 I7 Rh S4
• Calculated formula: C12 H24 Cl2 I7 Rh S4
• SMILES: [Rh]123(Cl)(Cl)[S]4CCC[S]1CCC[S]2CCC[S]3CCC4.II.[I-]([I]I)[I]I
• Title of publication: <i>trans</i>-Dichloro([16]aneS~4~)rhodium(III) Pentaiodide Diiodine
• Authors of publication: Blake, Alexander J.; Li, Wan-Sheung; Lippolis, Vito; Schröder, Martin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1410 - 1413
• a: 11.632 ± 0.003 Å
• b: 11.835 ± 0.002 Å
• c: 22.412 ± 0.004 Å
• α: 90°
• β: 100.28 ± 0.03°
• γ: 90°
• Cell volume: 3035.8 ± 1.1 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections: 0.134
• Weighted residual factors for significantly intense reflections: 0.116
• Goodness-of-fit parameter for all reflections: 1.235
• Goodness-of-fit parameter for significantly intense reflections: 1.225
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No