Information card for entry 7020169

Structure parameters

• Formula: C32 H29 Cl2 Co N4 O10
• Calculated formula: C32 H29 Cl2 Co N4 O10
• SMILES: [Co]1234(OC(=CC(=[O]1)c1ccc5ccccc5c1)C)[N](Cc1[n]2cccc1)(Cc1[n]3cccc1)Cc1[n]4cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Cobalt complexes with tripodal ligands: implications for the design of drug chaperones.
• Authors of publication: Bonnitcha, Paul D.; Kim, Byung J.; Hocking, Rosalie K.; Clegg, Jack K.; Turner, Peter; Neville, Suzanne M.; Hambley, Trevor W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 37
• Pages of publication: 11293 - 11304
• a: 12.836 ± 0.005 Å
• b: 17.758 ± 0.007 Å
• c: 14.707 ± 0.006 Å
• α: 90°
• β: 104.636 ± 0.007°
• γ: 90°
• Cell volume: 3244 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0603
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No