Information card for entry 7006867

Structure parameters

• Formula: C41 H18 B Co F15 O4 P
• Calculated formula: C41 H18 B Co F15 O4 P
• SMILES: [Co](C#[O])(C#[O])(C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)=[O][B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: B(C6F5)3 adducts of transition metal acyl compounds.
• Authors of publication: Llewellyn, Simon A.; Green, Malcolm L. H.; Cowley, Andrew R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 14
• Pages of publication: 1776 - 1783
• a: 12.5164 ± 0.0003 Å
• b: 17.0794 ± 0.0005 Å
• c: 18.0656 ± 0.0004 Å
• α: 90°
• β: 99.4628 ± 0.0011°
• γ: 90°
• Cell volume: 3809.38 ± 0.17 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0261
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No