Information card for entry 7005503

Structure parameters

• Common name: Hexacarbony-bis(9-cyclohexyl-9-phosphabicyclo(3.3.1)nonane)- dicobalt
• Chemical name: Hexacarbony-bis(9-cyclohexyl-9-phosphabicyclo[3.3.1]nonane)-dicobalt
• Formula: C34 H50 Co2 O6 P2
• Calculated formula: C34 H50 Co2 O6 P2
• SMILES: [P]1([Co](C#[O])(C#[O])(C#[O])[Co]([P]2(C3CCCC2CCC3)C2CCCCC2)(C#[O])(C#[O])C#[O])(C2CCCC1CCC2)C1CCCCC1
• Title of publication: Bicyclic phosphines as ligands for cobalt catalysed hydroformylation. Crystal structures of [Co(Phoban[3.3.1]-Q)(CO)(3)](2) (Q = C(2)H(5), C(5)H(11), C(3)H(6)NMe(2), C(6)H(11)).
• Authors of publication: Bungu, Peter N.; Otto, Stefanus
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 27
• Pages of publication: 2876 - 2884
• a: 11.058 ± 0.005 Å
• b: 10.035 ± 0.005 Å
• c: 15.622 ± 0.005 Å
• α: 90 ± 0.005°
• β: 98.695 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1713.6 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No