Information card for entry 7023844

Structure parameters

• Formula: C18 H26 Cl2 N2 Ni O2
• Calculated formula: C18 H26 Cl2 N2 Ni O2
• SMILES: C1(C)(C)Cc2cccc[n]2[Ni]2([OH]1)(Cl)([n]1c(CC(C)(C)[OH]2)cccc1)Cl
• Title of publication: Synthesis of cubane-type Ni(II) complexes from pyridyl-alcohol ligands; their single-molecule magnet behaviour.
• Authors of publication: Hameury, Sophie; Kayser, Laure; Pattacini, Roberto; Rogez, Guillaume; Wernsdorfer, Wolfgang; Braunstein, Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 14
• Pages of publication: 5013 - 5024
• a: 6.453 ± 0.005 Å
• b: 9.664 ± 0.006 Å
• c: 15.797 ± 0.001 Å
• α: 90°
• β: 101.634 ± 0.005°
• γ: 90°
• Cell volume: 964.9 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0742
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No