Information card for entry 7020456

Structure parameters

• Formula: C60 H104 N6 Ni O7
• Calculated formula: C60 H104 N6 Ni O7
• Title of publication: A novel di-compartmental bis-(2-hydroxyisophtalamide) macrocyclic ligand and its mononuclear Cu(II) and Ni(II) complexes.
• Authors of publication: Eckshtain-Levi, Meital; Lavi, Ronit; Yufit, Dmitry; Orio, Maylis; Wanke, Riccardo; Benisvy, Laurent
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 40
• Pages of publication: 12457 - 12467
• a: 9.6113 ± 0.0009 Å
• b: 10.1921 ± 0.0009 Å
• c: 16.9872 ± 0.0015 Å
• α: 98.776 ± 0.002°
• β: 100.154 ± 0.002°
• γ: 107.98 ± 0.002°
• Cell volume: 1519.4 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.1368
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.2465
• Weighted residual factors for all reflections included in the refinement: 0.28
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No