Information card for entry 4516747

Structure parameters

• Formula: C84 H146 Cl6 Co2 N12 O25
• Calculated formula: C84 H146 Cl6 Co2 N12 O25
• 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: 12.0877 ± 0.0006 Å
• b: 25.0985 ± 0.0014 Å
• c: 16.8235 ± 0.0008 Å
• α: 90°
• β: 90.887 ± 0.003°
• γ: 90°
• Cell volume: 5103.4 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1791
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No