Information card for entry 7056556

Structure parameters

• Formula: C27 H22 N2 Ni2 O5
• Calculated formula: C27 H22 N2 Ni2 O5
• Title of publication: Tetranuclear Ni(II) and Co(II) Schiff-base complexes with an M4O6 defective dicubane-like core: zero-field SMM behavior in the cobalt analogue
• Authors of publication: Nemec, Ivan; Herchel, Radovan; Machata, Marek; Travnicek, Zdenek
• Journal of publication: New J. Chem.
• Year of publication: 2017
• a: 8.486 ± 0.0004 Å
• b: 12.0008 ± 0.0007 Å
• c: 12.9636 ± 0.0007 Å
• α: 112.276 ± 0.005°
• β: 97.062 ± 0.004°
• γ: 108.048 ± 0.004°
• Cell volume: 1117.37 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No