Information card for entry 7051716

Structure parameters

• Formula: C54 H74 Co2 N12 O25
• Calculated formula: C54 H36 Co2 N12 O25
• SMILES: [Co]12345[n]6ccccc6C(=O)N1c1cc(ccc1)N1[Co]67([n]8c(C1=O)cccc8)(N(c1cc(N3C(=O)c3[n]2cccc3)ccc1)C(=O)c1cccc[n]61)N(c1cc(N5C(=O)c2[n]4cccc2)ccc1)C(=O)c1cccc[n]71.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Double and triple stranded mesocates containing the bis(bidentate) bridging ligand 1,3-bis(pyridine-2-carboxamide)benzene. Structure, properties and DNA interaction
• Authors of publication: Palacios, MaAngeles; Rodríguez-Diéguez, Antonio; Sironi, Angelo; Herrera, Juan Manuel; Mota, Antonio J.; Moreno, Virtudes; Cano, Joan; Colacio, Enrique
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 9
• Pages of publication: 1901
• a: 15.347 ± 0.003 Å
• b: 22.288 ± 0.005 Å
• c: 18.484 ± 0.004 Å
• α: 90°
• β: 90.15 ± 0.03°
• γ: 90°
• Cell volume: 6323 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0811
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1653
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No