Information card for entry 7020159

Structure parameters

• Formula: C80 H121 Cl8 Co4 N16 O42.5
• Calculated formula: C80 H120 Cl8 Co4 N16 O42.5
• 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: 13.3978 ± 0.0008 Å
• b: 28.7543 ± 0.0018 Å
• c: 26.4339 ± 0.0017 Å
• α: 90°
• β: 93.677 ± 0.004°
• γ: 90°
• Cell volume: 10162.5 ± 1.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No