Information card for entry 7016469

Structure parameters

• Common name: Hexacarbonyl-bis(1,3,5,7-tetramethyl-8-pentyl-2,4,6-trioxa-8- phosphatricyclo (3.3.1.13,7)decane)-dicobalt
• Chemical name: Hexacarbonyl-bis(1,3,5,7-tetramethyl-8-pentyl-2,4,6-trioxa-8-phosphatricyclo [3.3.1.13,7]decane)-dicobalt
• Formula: C59 H92 Co3 O18 P3
• Calculated formula: C59 H92 Co3 O18 P3
• Title of publication: Evaluation of ligand effects in the modified cobalt hydroformylation of 1-octene. Crystal structures of [Co(L)(CO)(3)](2) (L = PA-C(5), PCy(3) and PCyp(3)).
• Authors of publication: Bungu, Peter N.; Otto, Stefanus
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 36
• Pages of publication: 9238 - 9249
• a: 12.941 ± 0.005 Å
• b: 14.771 ± 0.005 Å
• c: 17.93 ± 0.005 Å
• α: 74.135 ± 0.005°
• β: 87.832 ± 0.005°
• γ: 89.739 ± 0.005°
• Cell volume: 3294.4 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0975
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No