Information card for entry 7007047

Structure parameters

• Chemical name: Cobalt tris-dimethylphenylphosphine-bisboryl
• Formula: C36 H41 B2 Co O4 P3
• Calculated formula: C36 H41 B2 Co O4 P3
• SMILES: [Co]([P](c1ccccc1)(C)C)([P](c1ccccc1)(C)C)([P](c1ccccc1)(C)C)(B1Oc2c(O1)cccc2)B1Oc2c(O1)cccc2
• Title of publication: Synthesis and reactivity of cobalt boryl complexes.
• Authors of publication: Adams, Christopher J.; Baber, R. Angharad; Batsanov, Andrei S.; Bramham, George; Charmant, Jonathan P. H.; Haddow, Mairi F.; Howard, Judith A. K.; Lam, Wai Han; Lin, Zhenyang; Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 11
• Pages of publication: 1370 - 1373
• a: 13.2266 ± 0.0006 Å
• b: 16.0716 ± 0.0007 Å
• c: 33.7307 ± 0.0015 Å
• α: 90°
• β: 96.3 ± 0.01°
• γ: 90°
• Cell volume: 7126.9 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No