Information card for entry 2017850

Structure parameters

• Common name: Δ(-)~578~-bis(en)[(S-Asp(OEt)O)]cobalt(III) perchlorate monohydrate
• Chemical name: Δ(-)~578~-bis(ethane-1,2-diamine)[β-ethyl (<i>S</i>)-aspartato- κ^2^<i>N</i>,<i>O</i>^1^]cobalt(III) bis(perchlorate) monohydrate
• Formula: C10 H28 Cl2 Co N5 O13
• Calculated formula: C10 H28 Cl2 Co N5 O13
• Title of publication: Diastereoisomeric β-ethyl aspartate‒cobalt(III) complexes: Λ(+)~578~- and Δ({-})~578~-bis(ethane-1,2-diamine)[β-ethyl (<i>S</i>)-aspartato]cobalt(III) bis(perchlorate) monohydrate
• Authors of publication: Hammershøi, Anders; Schau-Magnussen, Magnus; Bendix, Jesper; Mølgaard, Anne
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m319 - m322
• a: 9.2898 ± 0.0003 Å
• b: 9.2898 ± 0.0003 Å
• c: 48.9696 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4226.1 ± 0.2 ų
• Cell temperature: 122 ± 1 K
• Ambient diffraction temperature: 122 ± 1 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes