Information card for entry 7026415

Structure parameters

• Formula: C31 H37.5 Cl2 Co N9 O2.25
• Calculated formula: C31 H37.5 Cl2 Co N9 O2.25
• Title of publication: The effect of the central donor in bis(benzimidazole)-based cobalt catalysts for the selective cis-1,4-polymerisation of butadiene.
• Authors of publication: Cariou, Renan; Chirinos, Juan J.; Gibson, Vernon C.; Jacobsen, Grant; Tomov, Atanas K.; Britovsek, George J. P.; White, Andrew J. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 38
• Pages of publication: 9039 - 9045
• a: 15.39 ± 0.0004 Å
• b: 15.7696 ± 0.0004 Å
• c: 15.8027 ± 0.0004 Å
• α: 68.049 ± 0.002°
• β: 70.125 ± 0.002°
• γ: 77.034 ± 0.002°
• Cell volume: 3324.43 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 0.806
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No