Information card for entry 4083902

Structure parameters

• Common name: [1-hydroxy-2,5-bis(phenyldimethylsilyl)-3,4-dipropyl-cyclopentadienyl]- cobaltdicarbonyl
• Chemical name: dicarbonyl{eta5-1-hydroxy-2,5-bis[dimethyl(phenyl)silyl]-3,4-dipropyl- cyclopentadienyl}cobalt(I)
• Formula: C29 H37 Co O3 Si2
• Calculated formula: C29 H37 Co O3 Si2
• SMILES: [Co]1234(C#[O])(C#[O])[c]5([c]4([Si](C)(C)c4ccccc4)[c]3([c]2([c]15[Si](C)(C)c1ccccc1)CCC)CCC)O
• Title of publication: Cyclopentadienone and Hydroxycyclopentadienyl Cobalt Complexes from the Reaction of an Alkynylphenylsilane with Co2(CO)8
• Authors of publication: Hoffmann, Florian; Wagler, Jörg; Roewer, Gerhard
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 20
• Pages of publication: 5622
• a: 9.8534 ± 0.0005 Å
• b: 10.12 ± 0.0005 Å
• c: 14.8662 ± 0.0006 Å
• α: 93.369 ± 0.002°
• β: 99.713 ± 0.002°
• γ: 98.045 ± 0.002°
• Cell volume: 1441.61 ± 0.12 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No