Information card for entry 7020163

Structure parameters

• Formula: C11 H29 Cl2 Co N4 O4
• Calculated formula: C11 H25 Cl2 Co N4 O4
• SMILES: [Co]1234([O]=C(C)C=C(O1)C)[N](CC[NH2]2)(CC[NH2]3)CC[NH2]4.[Cl-].[Cl-].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: 7.779 ± 0.003 Å
• b: 7.864 ± 0.003 Å
• c: 8.045 ± 0.003 Å
• α: 100.627 ± 0.006°
• β: 106.855 ± 0.006°
• γ: 102.071 ± 0.006°
• Cell volume: 444.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No