Information card for entry 7020168

Structure parameters

• Formula: C56 H48 Cl2 Co2 N8 O12
• Calculated formula: C56 H48 Cl2 Co2 N8 O12
• 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: 21.553 ± 0.003 Å
• b: 10.822 ± 0.0014 Å
• c: 22.239 ± 0.003 Å
• α: 90°
• β: 93.066 ± 0.009°
• γ: 90°
• Cell volume: 5179.7 ± 1.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1819
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No