Information card for entry 7114489

Structure parameters

• Formula: C11 H28 Cl2 Co N5 O3
• Calculated formula: C11 H28 Cl2 Co N5 O3
• SMILES: [Co]1234([NH2]CCC[N]1=C(C)CC([NH2]2)C(=O)O4)[NH2]CCC[NH2]3.O.[Cl-].[Cl-]
• Title of publication: Assembly of polyamines via amino acids from three components using cobalt(iii) template methodology
• Authors of publication: Laval, Gilles; Clegg, William; Crane, Christopher G.; Hammershøi, Anders; Sargeson, Alan M.; Golding, Bernard T.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 17
• Pages of publication: 1874 - 1875
• a: 8.3623 ± 0.0004 Å
• b: 13.7158 ± 0.0007 Å
• c: 30.2033 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3464.2 ± 0.3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No