Information card for entry 4301884

Structure parameters

• Formula: C42 H50 Cl2 Cu4 N12 O20
• Calculated formula: C42 H50 Cl2 Cu4 N12 O20
• SMILES: c1cccc2[C@@]3(c4cccc5[n]4[Cu]4([O]3[Cu]3([n]12)[n]1c([C@]2([O]3[Cu]3([n]6c([C@@]7(c8cccc[n]8[Cu]8([n]9c([C@@]5([O]48)OC)cccc9)[O]37)OC)cccc26)(N=N#N)[OH]C)OC)cccc1)(N=N#N)[OH]C)OC.CO.Cl(=O)(=O)(=O)[O-].CO.Cl(=O)(=O)(=O)[O-]
• Title of publication: Ferromagnetic CuII4, CoII4, and NiII6 Azido Complexes Derived from Metal-Assisted Methanolysis of Di-2,6-(2-pyridylcarbonyl)pyridine
• Authors of publication: Anastasia N. Georgopoulou; Catherine P. Raptopoulou; Vassilis Psycharis; Rafael Ballesteros; Belén Abarca; Athanassios K. Boudalis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3167 - 3176
• a: 11.3132 ± 0.0002 Å
• b: 10.5766 ± 0.0001 Å
• c: 21.9862 ± 0.0004 Å
• α: 90°
• β: 90.241 ± 0.001°
• γ: 90°
• Cell volume: 2630.74 ± 0.07 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No