Information card for entry 4331473

Structure parameters

• Formula: C21 H23 Cl4 Co N4 O6 Zn
• Calculated formula: C21 H23 Cl4 Co N4 O6 Zn
• SMILES: [Co]1234([O]=C(O1)O)[n]1ccccc1C[N]2(CCc1[n]3cccc1)CCc1[n]4cccc1.[Zn](Cl)(Cl)([Cl-])[Cl-].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: 7.58 ± 0.02 Å
• b: 17.64 ± 0.05 Å
• c: 20.7 ± 0.06 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2768 ± 13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1926
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.1867
• Weighted residual factors for all reflections included in the refinement: 0.2272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No