Information card for entry 7010383

Structure parameters

• Formula: C11 H24 Cl Co N4 O9
• Calculated formula: C11 H24 Cl Co N4 O9
• SMILES: [Co]1234([NH]5CC[NH]1CC[NH]2CC[NH]3CC5)OC(=O)CC(=O)O4.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: 15.268 ± 0.005 Å
• b: 7.616 ± 0.002 Å
• c: 15.285 ± 0.005 Å
• α: 90°
• β: 92.923 ± 0.004°
• γ: 90°
• Cell volume: 1775 ± 0.9 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0446
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No