Information card for entry 7017939

Structure parameters

• Formula: C12 H26 Cl Co N4 O6
• Calculated formula: C12 H26 Cl Co N4 O6
• SMILES: [Co]12345OC(=O)C(=[N]1CC[NH]2CC[NH]3CC[NH]4C(C(=O)O5)C)C.[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: 10.4102 ± 0.0006 Å
• b: 12.7755 ± 0.0005 Å
• c: 13.0729 ± 0.0006 Å
• α: 90°
• β: 95.987 ± 0.001°
• γ: 90°
• Cell volume: 1729.15 ± 0.14 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No