Information card for entry 4340556

Structure parameters

• Formula: C26 H20 Cu2 N6 O7
• Calculated formula: C26 H20 Cu2 N6 O7
• SMILES: [Cu]12(N(c3ccc[n]4[Cu]5([n]6c(C(=O)N5c5c(c34)[n]1ccc5)cccc6)OC(=O)C)C(=O)c1cccc[n]21)OC(=O)C.O
• Title of publication: Exploring the Coordination Chemistry of 3,3'-Di(picolinamoyl)-2,2'-bipyridine: One Ligand, Multiple Nuclearities.
• Authors of publication: Hurley, Nicholas J.; Hayward, John J.; Rawson, Jeremy M.; Murrie, Mark; Pilkington, Melanie
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8610 - 8623
• a: 31.202 ± 0.002 Å
• b: 9.1176 ± 0.0006 Å
• c: 21.4203 ± 0.0014 Å
• α: 90°
• β: 123.052 ± 0.003°
• γ: 90°
• Cell volume: 5107.7 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No