Information card for entry 7036685

Structure parameters

• Formula: C10 H28 Co I2 N5 O5
• Calculated formula: C10 H28 Co I2 N5 O5
• SMILES: [I-].[I-].[Co]1234(OC(=O)C([NH2]4)(C(O)O)C)[N](CC[NH2]1)(CC[NH2]2)CC[NH2]3.O
• Title of publication: Stereoretentive formylation of (S)-proline: new application of the self-regeneration of stereo-centres (SRS) principle via chelation to cobalt(iii).
• Authors of publication: Temizsoy, Mehmet; Sethi, Waqas; Reinholdt, Anders; Schau-Magnussen, Magnus; Bendix, Jesper; Hammershøi, Anders
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 42
• Pages of publication: 18438 - 18446
• a: 21.619 ± 0.003 Å
• b: 9.0014 ± 0.001 Å
• c: 22.283 ± 0.003 Å
• α: 90°
• β: 117.732 ± 0.006°
• γ: 90°
• Cell volume: 3838.2 ± 0.9 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No