Information card for entry 7020161

Structure parameters

• Formula: C8 H22 Cl2 Co N5 O10
• Calculated formula: C8 H22 Cl2 Co N5 O10
• SMILES: [Co]1234([O]=C(NO1)C)[N](CC[NH2]2)(CC[NH2]3)CC[NH2]4.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: 8.455 ± 0.003 Å
• b: 9.447 ± 0.003 Å
• c: 12.232 ± 0.004 Å
• α: 98.584 ± 0.006°
• β: 101.007 ± 0.006°
• γ: 112.488 ± 0.006°
• Cell volume: 859.1 ± 0.5 ų
• Cell temperature: 273.2 K
• Ambient diffraction temperature: 273.2 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: 0.0944
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for all reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections: 2.256
• Goodness-of-fit parameter for all reflections included in the refinement: 2.51
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No