Information card for entry 4339563

Structure parameters

• Formula: C24 H17 Cl2 Cu2 N7 O2
• Calculated formula: C24 H17 Cl2 Cu2 N7 O2
• SMILES: [Cu]12(Cl)[n]3cccc4N5[Cu](Cl)([n]6c(c34)c(N1C(=O)c1[n]2cccc1)ccc6)[n]1c(C5=O)cccc1.N#CC
• 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: 12.8622 ± 0.0012 Å
• b: 9.61 ± 0.001 Å
• c: 19.897 ± 0.002 Å
• α: 90°
• β: 102.027 ± 0.003°
• γ: 90°
• Cell volume: 2405.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.0572
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No