Information card for entry 7022280

Structure parameters

• Common name: rac-cdelta*-bis(ethane-1,2-diamine)((S*)-N-methyl-3-nitro- (R*)-alaninato-kappa$2!N,O$1!)cobalt(iii) tetrachloridozincate
• Chemical name: rac-Δ*-bis(ethane-1,2-diamine)[(<i>S</i>*)-<i>N</i>-methyl-3-nitro-(<i>R</i>*)- alaninato-κ^2^<i>N,O</i>^1^]cobalt(III) tetrachloridozincate
• Formula: C8 H23 Cl4 Co N6 O4 Zn
• Calculated formula: C8 H23 Cl4 Co N6 O4 Zn
• SMILES: [Co]123([NH](C)C(C(=O)O3)CN(=O)=O)([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: 9.739 ± 0.002 Å
• b: 17.035 ± 0.003 Å
• c: 11.652 ± 0.006 Å
• α: 90°
• β: 103.84 ± 0.03°
• γ: 90°
• Cell volume: 1877 ± 1.1 ų
• Cell temperature: 122 ± 1 K
• Ambient diffraction temperature: 122 ± 1 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1094
• 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