Information card for entry 7006568

Structure parameters

• Formula: C17 H29 Co I O P
• Calculated formula: C17 H29 Co I O P
• SMILES: [Co]12345(I)([P](CC[c]61[c]2([c]3([c]4([c]56C)C)C)C)(CC)CC)C(=O)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: 16.75 ± 0.007 Å
• b: 8.612 ± 0.004 Å
• c: 14.429 ± 0.006 Å
• α: 90°
• β: 114.17 ± 0.007°
• γ: 90°
• Cell volume: 1898.9 ± 1.4 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• 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: 0.1248
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No