Information card for entry 4081740

Structure parameters

• Formula: C60 H88 Cl2 Co2 N4 O
• Calculated formula: C60 H80 Cl2 Co2 N4 O2
• SMILES: C1(C(C)=[N]([Co]2([N]=1c1c(cccc1C(C)C)C(C)C)[Cl][Co]1([N](=C(C(C)=[N]1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)[Cl]2)c1c(cccc1C(C)C)C(C)C)C.O1CCOCC1
• Title of publication: Synthesis and Characterization of Cobalt Complexes with Radical Anionic α-Diimine Ligands
• Authors of publication: Yang, Xiao-Juan; Fan, Xiaohui; Zhao, Yanxia; Wang, Xuting; Liu, Bin; Su, Ji-Hu; Dong, Qingsong; Xu, Maolin; Wu, Biao
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 23
• Pages of publication: 6945
• a: 17.597 ± 0.004 Å
• b: 18.718 ± 0.005 Å
• c: 11.669 ± 0.003 Å
• α: 90°
• β: 124.579 ± 0.003°
• γ: 90°
• Cell volume: 3164.6 ± 1.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1838
• Weighted residual factors for all reflections included in the refinement: 0.1892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No