Information card for entry 4331472

Structure parameters

• Formula: C22 H24 Cl Co N4 O7
• Calculated formula: C22 H24 Cl Co N4 O7
• SMILES: [Co]1234(OC(=O)O1)[N](CCc1[n]2cccc1)(CCc1[n]3cccc1)CCc1[n]4cccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Cobalt(III) Carbonate and Bicarbonate Chelate Complexes of Tripodal Tetraamine Ligands Containing Pyridyl Donors: The Steric Basis for the Stability of Chelated Bicarbonate Complexes
• Authors of publication: Jaffray, Paul M.; McClintock, Lisa F.; Baxter, Kay E.; Blackman, Allan G.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 4215 - 4225
• a: 14.865 ± 0.0015 Å
• b: 14.8578 ± 0.0014 Å
• c: 20.474 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4521.9 ± 0.8 ų
• Cell temperature: 161 ± 2 K
• Ambient diffraction temperature: 161 ± 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: 0.0697
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.268
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No