Information card for entry 7006567

Structure parameters

• Formula: C16 H26 Ir O P
• Calculated formula: C16 H26 Ir O P
• SMILES: [Ir]12345([P](CC[c]61[c]2([c]3([c]4([c]56C)C)C)C)(CC)CC)C#[O]
• 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: 7.1629 ± 0.0004 Å
• b: 16.6122 ± 0.0009 Å
• c: 14.3026 ± 0.0008 Å
• α: 90°
• β: 102.526 ± 0.001°
• γ: 90°
• Cell volume: 1661.38 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0243
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 0.806
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No