Information card for entry 2017109

Structure parameters

• Chemical name: Λ(+)~578~-bis(ethane-1,2-diamine)[oxamato(2-)- κ^2^<i>N</i>,<i>O</i>^1^]cobalt(III) trifluoromethanesulfonate
• Formula: C7 H17 Co F3 N5 O6 S
• Calculated formula: C7 H17 Co F3 N5 O6 S
• SMILES: [Co]123(NC(=O)C(=O)O3)([NH2]CC[NH2]1)[NH2]CC[NH2]2.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Linkage isomeric oxamate chelates: <i>rac</i>-bis(ethane-1,2-diamine)oxamatocobalt(III) bis(trifluoromethanesulfonate) dihydrate and Λ(+)~578~-bis(ethane-1,2-diamine)[oxamato(2{-})]cobalt(III) trifluoromethanesulfonate
• Authors of publication: Hammershøi, Anders; Magnussen, Magnus
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m201 - m204
• a: 6.6398 ± 0.0004 Å
• b: 11.6663 ± 0.0008 Å
• c: 9.2846 ± 0.001 Å
• α: 90°
• β: 96.517 ± 0.011°
• γ: 90°
• Cell volume: 714.56 ± 0.1 ų
• Cell temperature: 122 ± 1 K
• Ambient diffraction temperature: 122 ± 1 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0212
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes