Information card for entry 2223598

Structure parameters

• Chemical name: Bis[μ-2-(aminosulfanyl)pyridine(1-)]bis[(η^5^- pentamethylcyclopentadienyl)iridium(III)] diiodide
• Formula: C30 H40 I2 Ir2 N4 S2
• Calculated formula: C30 H40 I2 Ir2 N4 S2
• SMILES: c12cccc[n]2[Ir]23456([c]7([c]2([c]3([c]4([c]57C)C)C)C)C)[NH](S1)[Ir]12345([n]7c(cccc7)S[NH]61)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.[I-].[I-]
• Title of publication: Bis[μ-2-(aminosulfanyl)pyridine(1{-})]bis[(η^5^-pentamethylcyclopentadienyl)iridium(III)] diiodide
• Authors of publication: Sekioka, Yusuke; Suzuki, Takayoshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: m1229 - m1230
• a: 12.839 ± 0.003 Å
• b: 12.169 ± 0.003 Å
• c: 11.299 ± 0.004 Å
• α: 90°
• β: 102.754 ± 0.019°
• γ: 90°
• Cell volume: 1721.8 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0925
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1865
• Weighted residual factors for all reflections included in the refinement: 0.2121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes