Information card for entry 4316979

Structure parameters

• Formula: C66 H54 Cl3 Gd N12 Ni3 O18
• Calculated formula: C66 H54 Cl3 Gd N12 Ni3 O18
• Title of publication: Nickel/Lanthanide Single-Molecule Magnets: {Ni3Ln} "Stars" with a Ligand Derived from the Metal-Promoted Reduction of Di-2-pyridyl Ketone under Solvothermal Conditions
• Authors of publication: Constantinos G. Efthymiou; Theocharis C. Stamatatos; Constantina Papatriantafyllopoulou; Anastasios J. Tasiopoulos; Wolfgang Wernsdorfer; Spyros P. Perlepes; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9737 - 9739
• a: 14.746 ± 0.002 Å
• b: 20.82 ± 0.003 Å
• c: 23.728 ± 0.004 Å
• α: 90°
• β: 102.145 ± 0.007°
• γ: 90°
• Cell volume: 7121.7 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0405
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0959
• 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: Yes
• Has Fobs: No