Information card for entry 7017940

Structure parameters

• Formula: C12 H28 Cl Co N4 O6
• Calculated formula: C12 H28 Cl Co N4 O6
• SMILES: [Co]12345OC(=O)[C@H](C)[NH]4CC[NH]1CC[NH]2CC[NH]3[C@@H](C)C(=O)O5.[Cl-].O.O.[Co]12345OC(=O)[C@@H](C)[NH]4CC[NH]1CC[NH]2CC[NH]3[C@H](C)C(=O)O5.[Cl-].O.O
• Title of publication: High diastereoselectivity in borohydride reductions of coordinated imines.
• Authors of publication: Wilson-Coutts, Sarah M; Browne, Julian M. W.; Marsh, Liesl C.; Polson, Matthew I. J.; Hartshorn, Richard M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 5
• Pages of publication: 1591 - 1596
• a: 10.2882 ± 0.0017 Å
• b: 12.738 ± 0.002 Å
• c: 13.267 ± 0.002 Å
• α: 90°
• β: 96.273 ± 0.006°
• γ: 90°
• Cell volume: 1728.2 ± 0.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• 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: 0.0722
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No