Information card for entry 4339564

Structure parameters

• Formula: C35 H20.5 Cu2 F12 N7.5 O6.5
• Calculated formula: C35 H20.5 Cu2 F12 N7.5 O6.5
• SMILES: [Cu]123([O]=C(C(F)(F)F)C=C(O1)C(F)(F)F)[n]1cccc4N5[Cu]6(OC(=CC(=[O]6)C(F)(F)F)C(F)(F)F)([n]6c(c14)c(N2C(=O)c1[n]3cccc1)ccc6)[n]1c(cccc1)C5=O.N#CC.N#CC.O
• Title of publication: A novel bis tridentate bipyridine carboxamide ligand and its complexation to copper(II): synthesis, structure, and magnetism.
• Authors of publication: Wang, Jian; Djukic, Brandon; Cao, Jingyi; Alberola, Antonio; Razavi, Fereidoon S.; Pilkington, Melanie
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 8560 - 8568
• a: 12.7185 ± 0.0006 Å
• b: 17.3792 ± 0.0009 Å
• c: 19.4696 ± 0.0008 Å
• α: 110.827 ± 0.002°
• β: 99.89 ± 0.003°
• γ: 97.966 ± 0.003°
• Cell volume: 3868.3 ± 0.3 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.0428
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No