Information card for entry 2237542

Structure parameters

• Chemical name: Di-μ~2~-chlorido-bis[chlorido(η^5^-2,3,4,5-tetramethyl-1-propylcyclopentadienyl)iridium(III)]
• Formula: C24 H38 Cl4 Ir2
• Calculated formula: C24 H38 Cl4 Ir2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ir]12345([Cl][Ir]2345([c]6([c]5([c]4([c]3([c]26C)C)C)C)CCC)(Cl)[Cl]1)Cl)C)C)C)CCC
• Title of publication: Di-μ~2~-chlorido-bis[chlorido(η^5^-2,3,4,5-tetramethyl-1-propylcyclopentadienyl)iridium(III)]
• Authors of publication: Merola, Joseph S.; Morris, David; De Weerd, Nicholas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: m176
• a: 8.84367 ± 0.00012 Å
• b: 8.839 ± 0.00012 Å
• c: 17.2662 ± 0.0002 Å
• α: 90°
• β: 103.674 ± 0.0014°
• γ: 90°
• Cell volume: 1311.43 ± 0.03 ų
• Cell temperature: 100.1 K
• Ambient diffraction temperature: 100.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.0396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes