Information card for entry 7010381

Structure parameters

• Formula: C11 H22 Cl Co N4 O9
• Calculated formula: C11 H22 Cl Co N4 O9
• SMILES: [Co]1234(OC(=O)CC(=O)O1)[NH]1CC[NH]2CC[NH]3CC[NH]4CC1.Cl(=O)(=O)(=O)[O-].O
• Title of publication: Preparation, structures and reactions of isomeric [Co(cyclen)(O2C2O2)]+ and [Co(cyclen)(O2CCH2CO2)]+ complexes (cyclen = 1,4,7,10-tetraazacyclododecane) †
• Authors of publication: Clarkson, Andrea J.; Blackman, Allan G.; Clark, Charles R.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 5
• Pages of publication: 758
• a: 7.5762 ± 0.0005 Å
• b: 14.3014 ± 0.001 Å
• c: 15.9803 ± 0.0012 Å
• α: 90°
• β: 91.505 ± 0.001°
• γ: 90°
• Cell volume: 1730.9 ± 0.2 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 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: 0.0325
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No