Information card for entry 4301886

Structure parameters

• Formula: C116.8 H113.2 Cl2 N54 Ni12 O39.8
• Calculated formula: C116.8 H99 Cl2 N54 Ni12 O39.8
• 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: 14.5652 ± 0.0002 Å
• b: 18.9292 ± 0.0003 Å
• c: 27.2138 ± 0.0004 Å
• α: 87.44 ± 0.001°
• β: 84.744 ± 0.001°
• γ: 85.77 ± 0.001°
• Cell volume: 7445.72 ± 0.19 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.114
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.2189
• Weighted residual factors for all reflections included in the refinement: 0.2549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No