Information card for entry 7029948

Structure parameters

• Formula: C44 H72 Cl6 Co3 N24 O16
• Calculated formula: C44 H72 Cl6 Co3 N24 O16
• SMILES: C(O)C12n3ccc[n]3[Co]34([n]5cccn15)([n]1n2ccc1)[n]1cccn1C(CO)(n1ccc[n]31)n1ccc[n]41.C(O)C12n3ccc[n]3[Co]([n]3cccn13)([n]1cccn21)([OH2])([OH2])[OH2].[Cl-].[Cl-].[Cl-].O.O.O.C(O)C12n3ccc[n]3[Co]([n]3cccn13)([n]1cccn21)([OH2])([OH2])[OH2].[Cl-].[Cl-].[Cl-].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: 11.59 ± 0.003 Å
• b: 11.736 ± 0.002 Å
• c: 13.908 ± 0.005 Å
• α: 108.336 ± 0.013°
• β: 105.474 ± 0.013°
• γ: 102.185 ± 0.009°
• Cell volume: 1638.2 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0782
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1614
• 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: No
• Has Fobs: No