Information card for entry 7004445

Structure parameters

• Formula: C16 H21 Cl Co N7 O7
• Calculated formula: C16 H21 Cl Co N7 O7
• SMILES: [Co]1234(OC(=O)O1)[N](CCn1[n]2ccc1)(CCn1[n]3ccc1)CCn1[n]4ccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: The donor ability of the chelated carbonate ligand: protonation and metallation of [(L)Co(O2CO)]+ complexes in aqueous solution
• Authors of publication: McClintock, Lisa F.; Cavigliasso, Germán; Stranger, Robert; Blackman, Allan G.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 37
• Pages of publication: 4984 - 4992
• a: 12.2764 ± 0.0004 Å
• b: 11.9332 ± 0.0003 Å
• c: 27.9535 ± 0.0008 Å
• α: 90°
• β: 100.082 ± 0.001°
• γ: 90°
• Cell volume: 4031.9 ± 0.2 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No