Information card for entry 7220489

Structure parameters

• Formula: C122 H90 B2 Br1.93 Cl2 Co2 F48 N6
• Calculated formula: C122 H90 B2 Br1.93 Cl2 Co2 F48 N6
• 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: 12.8325 ± 0.0006 Å
• b: 15.0886 ± 0.0007 Å
• c: 17.1355 ± 0.0007 Å
• α: 75.314 ± 0.004°
• β: 83.402 ± 0.004°
• γ: 71.836 ± 0.004°
• Cell volume: 3047.2 ± 0.3 ų
• Cell temperature: 150.03 ± 0.16 K
• Ambient diffraction temperature: 150.03 ± 0.16 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1811
• Weighted residual factors for all reflections included in the refinement: 0.1967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No