Information card for entry 7032235

Structure parameters

• Formula: C131 H108 B2 Br2 Cl2 Co2 F48 N6 O2
• Calculated formula: C131 H108 B2 Br2 Cl2 Co2 F48 N6 O2
• Title of publication: Synthesis and characterization of β-triketimine cobalt complexes and their behaviour in the polymerization of 1,3-butadiene.
• Authors of publication: Alnajrani, Mohammed N.; Mair, Francis S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 42
• Pages of publication: 15727 - 15736
• a: 13.2409 ± 0.0006 Å
• b: 16.121 ± 0.0007 Å
• c: 17.0741 ± 0.0006 Å
• α: 77.562 ± 0.003°
• β: 71.167 ± 0.004°
• γ: 82.189 ± 0.004°
• Cell volume: 3359.8 ± 0.3 ų
• Cell temperature: 105 ± 7 K
• Ambient diffraction temperature: 105 ± 7 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1339
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.2051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No