Information card for entry 7029947

Structure parameters

• Formula: C12 H18 Co N6 O6 S
• Calculated formula: C12 H18 Co N6 O6 S
• SMILES: c1ccn2C3n4ccc[n]4[Co]([n]12)([n]1cccn31)(OC)([OH]C)OS(=O)(=O)O
• Title of publication: Cobalt complexes bearing scorpionate ligands: synthesis, characterization, cytotoxicity and DNA cleavage.
• Authors of publication: Silva, Telma F. S.; Martins, Luísa M D R S; Guedes da Silva, M Fátima C; Fernandes, Alexandra R.; Silva, Ana; Borralho, Pedro M.; Santos, Susana; Rodrigues, Cecília M P; Pombeiro, Armando J. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 41
• Pages of publication: 12888 - 12897
• a: 7.8225 ± 0.0006 Å
• b: 12.4161 ± 0.001 Å
• c: 17.4883 ± 0.0015 Å
• α: 90°
• β: 93.384 ± 0.005°
• γ: 90°
• Cell volume: 1695.6 ± 0.2 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: 0.0635
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No