Information card for entry 4331469

Structure parameters

• Formula: C19 H18 Cl Co N4 O8
• Calculated formula: C19 H18 Cl Co N4 O8
• SMILES: [Co]1234(OC(=O)O1)[n]1c(cccc1)C[N]3(Cc1[n]2cccc1)Cc1[n]4cccc1.Cl(=O)(=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: 8.174 ± 0.001 Å
• b: 15.558 ± 0.002 Å
• c: 17.073 ± 0.002 Å
• α: 80.94 ± 0.06°
• β: 77.4 ± 0.06°
• γ: 77.05 ± 0.06°
• Cell volume: 2051.5 ± 0.8 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2528
• Residual factor for significantly intense reflections: 0.1158
• Weighted residual factors for significantly intense reflections: 0.2828
• Weighted residual factors for all reflections included in the refinement: 0.3605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No