Information card for entry 4508356

Structure parameters

• Formula: C25 H25 Cl1.25 Co1.25 N5 O2.5
• Calculated formula: C23.998 H31 Cl Co N4 O3.828
• Title of publication: Chiral Octahedral Complexes of CoIIIAs a Family of Asymmetric Catalysts Operating under Phase Transfer Conditions
• Authors of publication: Belokon, Yuri N.; Maleev, Victor I.; North, Michael; Larionov, Vladimir A.; Savel’yeva, Tat’yana F.; Nijland, Aike; Nelyubina, Yuliya V.
• Journal of publication: ACS Catalysis
• Year of publication: 2013
• Pages of publication: 1951
• a: 34.074 ± 0.004 Å
• b: 10.4676 ± 0.0011 Å
• c: 13.8502 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4940 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.1776
• Weighted residual factors for all reflections included in the refinement: 0.1807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.857
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No