Information card for entry 7703762

Structure parameters

• Formula: C33 H33 Cl3 Co N4 O2
• Calculated formula: C33 H33 Cl3 Co N4 O2
• SMILES: [Co](Cl)(Cl)(Cl)[n]1ccccc1CC[n+]1c2c3c(c4c(n(c3ccc2)CCC)cccc4OC)c2c1cccc2OC.N#CC
• Title of publication: Tunable carbocation-based redox active ambiphilic ligands: synthesis, coordination and characterization.
• Authors of publication: Mei, Liangyong; Veleta, José M; Bloch, Jan; Goodman, Hannah J.; Pierce-Navarro, Dominic; Villalobos, Alejandro; Gianetti, Thomas L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 45
• Pages of publication: 16095 - 16105
• a: 25.405 ± 0.006 Å
• b: 10.88 ± 0.002 Å
• c: 25.515 ± 0.008 Å
• α: 90°
• β: 117.562 ± 0.009°
• γ: 90°
• Cell volume: 6252 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No