Information card for entry 1549398

Structure parameters

• Formula: C54 H84 Co I3 N6 O6 S6
• Calculated formula: C54 H84 Co I3 N6 O6 S6
• Title of publication: The robust, readily available cobalt(iii) trication [Co(NH₂CHPhCHPhNH₂)₃]³⁺ is a progenitor of broadly applicable chirality and prochirality sensing agents.
• Authors of publication: Luu, Quang H.; Lewis, Kyle G.; Banerjee, Anik; Bhuvanesh, Nattamai; Gladysz, John A.
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 22
• Pages of publication: 5087 - 5099
• a: 23.057 ± 0.002 Å
• b: 13.6098 ± 0.0012 Å
• c: 23.378 ± 0.002 Å
• α: 90°
• β: 110.977 ± 0.002°
• γ: 90°
• Cell volume: 6849.8 ± 1 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No