Information card for entry 4081742

Structure parameters

• Formula: C56 H80 Co2 N4
• Calculated formula: C56 H80 Co2 N4
• SMILES: C1(C(C)=[N](c2c(C(C)C)cccc2C(C)C)[Co]234567[N]=1[c]18[c]9([cH]%10[cH]%11[cH]%12[c]1(C(C)C)[Co]189%10%11%12[N](=C(C(C)=[N]1c1c(cccc1C(C)C)C(C)C)C)[c]12[c]7([cH]6[cH]5[cH]4[c]31C(C)C)C(C)C)C(C)C)C
• 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: 10.439 ± 0.002 Å
• b: 10.879 ± 0.002 Å
• c: 12.45 ± 0.002 Å
• α: 72.678 ± 0.002°
• β: 85.012 ± 0.002°
• γ: 74.461 ± 0.002°
• Cell volume: 1300.4 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No