Information card for entry 4073643

Structure parameters

• Formula: C51 H63 Cl2 Co N5
• Calculated formula: C51 H63 Cl2 Co N5
• SMILES: [Co]12(Cl)(Cl)[N](c3c(cccc3C(C)C)C(C)C)=C(C)c3[n]1c(ccc3)C(=[N]2c1c(cccc1C(C)C)C(C)C)c1nc(ccc1)C(=N\c1c(cccc1C(C)C)C(C)C)\C
• Title of publication: Synthesis of New Polydentate Nitrogen Ligands and Their Use in Ethylene Polymerization in Conjunction with Iron(II) and Cobalt(II) Bis-halides and Methylaluminoxane
• Authors of publication: Barbaro, Pierluigi; Bianchini, Claudio; Giambastiani, Giuliano; Rios, Itzel Guerrero; Meli, Andrea; Oberhauser, Werner; Segarra, Anna M.; Sorace, Lorenzo; Toti, Alessandro
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 18
• Pages of publication: 4639
• a: 9.8615 ± 0.0009 Å
• b: 10.8452 ± 0.0008 Å
• c: 25.9804 ± 0.0019 Å
• α: 89.473 ± 0.006°
• β: 87.86 ± 0.007°
• γ: 78.52 ± 0.007°
• Cell volume: 2721.1 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1703
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.2253
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No