Information card for entry 4081741

Structure parameters

• Formula: C35 H48 Co N2
• Calculated formula: C35 H48 Co N2
• SMILES: [Co]123456([N](=C(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)[c]1(C)[cH]2[cH]3[cH]4[cH]5[cH]61
• 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: 12.737 ± 0.002 Å
• b: 15.005 ± 0.003 Å
• c: 17.11 ± 0.003 Å
• α: 93.252 ± 0.002°
• β: 93.723 ± 0.002°
• γ: 100.647 ± 0.002°
• Cell volume: 3199.1 ± 1 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: 0.0703
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No