Information card for entry 7051717

Structure parameters

• Formula: C50 H36 Cu2 F12 Mn N10 O10
• Calculated formula: C50 H36 Cu2 F12 Mn N10 O10
• SMILES: FC(F)(C1=CC(C(F)(F)F)=[O][Mn]2([OH2])(O1)([OH2])OC(=CC(C(F)(F)F)=[O]2)C(F)(F)F)F.C(#[N][Cu]123[n]4ccccc4C(=O)N2c2cccc(N4C(=O)c5cccc[n]5[Cu]54([n]4ccccc4C(=O)N5c4cccc(N3C(=O)c3cccc[n]13)c4)[N]#CC)c2)C
• 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: 11.248 ± 0.002 Å
• b: 12.108 ± 0.002 Å
• c: 12.458 ± 0.002 Å
• α: 72.468 ± 0.002°
• β: 71.4 ± 0.002°
• γ: 63.689 ± 0.002°
• Cell volume: 1415.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1935
• Weighted residual factors for all reflections included in the refinement: 0.2107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No