Information card for entry 7220492

Structure parameters

• Formula: C122 H82 B2 Br2 Cl2 Co2 F56 N6 O2
• Calculated formula: C122.52 H83.92 B2 Br2 Cl2 Co2 F56 N6 O2
• Title of publication: The behaviour of β-triketimine cobalt complexes in the polymerization of isoprene
• Authors of publication: Mair, F. S.; Alnajrani, Mohammed Nasser
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 12.3778 ± 0.0006 Å
• b: 16.0019 ± 0.0007 Å
• c: 17.1622 ± 0.0008 Å
• α: 77.298 ± 0.004°
• β: 83.896 ± 0.004°
• γ: 78.943 ± 0.004°
• Cell volume: 3247.2 ± 0.3 ų
• Cell temperature: 150.01 ± 0.11 K
• Ambient diffraction temperature: 150.01 ± 0.11 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: 0.1702
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.2221
• Weighted residual factors for all reflections included in the refinement: 0.2747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No