Information card for entry 4516746

Structure parameters

• Formula: C44.88 H61.54 Cl3 Co N6 O3.88
• Calculated formula: C44.88 H61.52 Cl3 Co N6 O3.88
• Title of publication: Cobalt(III) Werner Complexes with 1,2-Diphenylethylenediamine Ligands: Readily Available, Inexpensive, and Modular Chiral Hydrogen Bond Donor Catalysts for Enantioselective Organic Synthesis.
• Authors of publication: Lewis, Kyle G.; Ghosh, Subrata K.; Bhuvanesh, Nattamai; Gladysz, John A.
• Journal of publication: ACS central science
• Year of publication: 2015
• Journal volume: 1
• Journal issue: 1
• Pages of publication: 50 - 56
• a: 13.8725 ± 0.0007 Å
• b: 13.8725 ± 0.0007 Å
• c: 24.3173 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4679.8 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No