Information card for entry 7227214

Structure parameters

• Formula: C36 H40 Br2 Co N2
• Calculated formula: C36 H40 Br2 Co N2
• SMILES: Br[Co]1(Br)[N](=C2C(=[N]1c1c(cccc1C(C)C)C(C)C)c1cccc3cccc2c13)c1c(C(C)C)cccc1C(C)C
• Title of publication: Alpha and beta diimine cobalt complexes in isoprene polymerization: a comparative study
• Authors of publication: Alnajrani, Mohammed; Alshmimri, Sultan A.; Alsager, Omar A.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 27.1936 ± 0.0017 Å
• b: 12.096 ± 0.0005 Å
• c: 22.8296 ± 0.0011 Å
• α: 90°
• β: 113.511 ± 0.007°
• γ: 90°
• Cell volume: 6886 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No