Information card for entry 7022281

Structure parameters

• Common name: rac-cdelta*-bis(ethane-1,2-diamine)((S*)-N-methyl-4-oxo-(R*)- norvalinato-kappa$2!N,O$1!)cobalt(iii) tetrachloridozincate
• Chemical name: rac-Δ*-bis(ethane-1,2-diamine)[(<i>S</i>*)-<i>N</i>-methyl-4-oxo-(<i>R</i>*)- norvalinato-κ^2^<i>N,O</i>^1^]cobalt(III) tetrachloridozincate
• Formula: C10 H26 Cl4 Co N5 O3 Zn
• Calculated formula: C10 H26 Cl4 Co N5 O3 Zn
• SMILES: [Co]123([NH](C)C(C(=O)O3)CC(=O)C)([NH2]CC[NH2]1)[NH2]CC[NH2]2.[Zn](Cl)(Cl)([Cl-])[Cl-]
• Title of publication: Highly stereoselective, cobalt(III)-directed Mannich additions in water yielding α-methylamino acid products.
• Authors of publication: Oerum, Stephanie; Krabbe, Peter; Schau-Magnussen, Magnus; Furbo, Søren; Bendix, Jesper; Hammershøi, Anders
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 1
• Pages of publication: 292 - 298
• a: 9.1773 ± 0.0006 Å
• b: 17.0562 ± 0.0015 Å
• c: 12.7279 ± 0.001 Å
• α: 90°
• β: 105.053 ± 0.006°
• γ: 90°
• Cell volume: 1923.9 ± 0.3 ų
• Cell temperature: 122 ± 1 K
• Ambient diffraction temperature: 122 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No