Information card for entry 7040200

Structure parameters

• Formula: C70 H63 B Br Co F24 N3 O
• Calculated formula: C70 H63 B Br Co F24 N3 O
• Title of publication: Bidentate forms of β-triketimines: syntheses, characterization and outstanding performance of enamine-diimine cobalt complexes in isoprene polymerization.
• Authors of publication: Alnajrani, Mohammed N.; Mair, Francis S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 10435 - 10446
• a: 32.4767 ± 0.0019 Å
• b: 12.0362 ± 0.0007 Å
• c: 40.298 ± 0.002 Å
• α: 90°
• β: 114.988 ± 0.007°
• γ: 90°
• Cell volume: 14277.9 ± 1.6 ų
• Cell temperature: 150.03 ± 0.18 K
• Ambient diffraction temperature: 150.03 ± 0.18 K
• Number of distinct elements: 8
• 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: 0.1107
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No