Information card for entry 7227215

Structure parameters

• Formula: C30 H44 Br2 Cl2 Co N2
• Calculated formula: C30 H44 Br2 Cl2 Co N2
• SMILES: Br[Co]1(Br)[N](=C(CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(C(C)C)cccc1C(C)C.ClCCl
• 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: 19.4172 ± 0.0012 Å
• b: 7.9998 ± 0.0003 Å
• c: 21.5 ± 0.0011 Å
• α: 90°
• β: 101.005 ± 0.005°
• γ: 90°
• Cell volume: 3278.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No