Information card for entry 4508355

Structure parameters

• Formula: C44 H70 Cl5 Co N4 O2
• Calculated formula: C44 H70 Cl5 Co N4 O2
• SMILES: [Co]1234(Oc5c(cc(cc5C(C)(C)C)C(C)(C)C)C=[N]1[C@@H]1[C@@H]([NH2]2)CCCC1)Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C=[N]3[C@@H]1[C@@H]([NH2]4)CCCC1.[Cl-].C(Cl)Cl.C(Cl)Cl.[Co]1234(Oc5c(cc(cc5C(C)(C)C)C(C)(C)C)C=[N]1[C@H]1[C@H]([NH2]2)CCCC1)Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C=[N]3[C@H]1[C@H]([NH2]4)CCCC1.[Cl-].C(Cl)Cl.C(Cl)Cl
• 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: 39.868 ± 0.005 Å
• b: 11.8049 ± 0.0014 Å
• c: 19.788 ± 0.002 Å
• α: 90°
• β: 93.947 ± 0.002°
• γ: 90°
• Cell volume: 9290.9 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1107
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No