Information card for entry 7006570

Structure parameters

• Formula: C36 H47 I2 Ir O P2
• Calculated formula: C36 H47 I2 Ir O P2
• SMILES: [Ir]12345([P](CC[c]61[c]5([c]4([c]3([c]26C)C)C)C)(CC)CC)(C#[O])C.[I-].[I-].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)C
• Title of publication: The synthesis, characterisation and reactivity of 2-phosphanylethylcyclopentadienyl complexes of cobalt, rhodium and iridium.
• Authors of publication: McConnell, Ann C.; Pogorzelec, Peter J.; Slawin, Alexandra M. Z.; Williams, Gary L.; Elliott, Paul I. P.; Haynes, Anthony; Marr, Andrew C.; Cole-Hamilton, David J
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 1
• Pages of publication: 91 - 107
• a: 9.03 ± 0.002 Å
• b: 10.604 ± 0.003 Å
• c: 20.661 ± 0.006 Å
• α: 93.879 ± 0.004°
• β: 101.951 ± 0.004°
• γ: 105.618 ± 0.004°
• Cell volume: 1848 ± 0.9 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.1212
• Residual factor for significantly intense reflections: 0.1076
• Weighted residual factors for significantly intense reflections: 0.2422
• Weighted residual factors for all reflections included in the refinement: 0.249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No