Information card for entry 7032234

Structure parameters

• Formula: C135 H116 B2 Br2 Cl2 Co2 F48 N6 O2
• Calculated formula: C135 H116 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: 13.3372 ± 0.0004 Å
• b: 16.1753 ± 0.0004 Å
• c: 17.2852 ± 0.0005 Å
• α: 78.593 ± 0.001°
• β: 70.031 ± 0.001°
• γ: 84.129 ± 0.001°
• Cell volume: 3433.12 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1003
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No