Information card for entry 7051900

Structure parameters

• Formula: C53 H46 N4 Ni
• Calculated formula: C53 H46 N4 Ni
• Title of publication: Controlling the confinement of fullerene C60 molecules using a saddle shape Ni(ii) macrocycle
• Authors of publication: Norret, Marck; Makha, Mohamed; Sobolev, Alexandre N.; Raston, Colin L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 808
• a: 7.9746 ± 0.0016 Å
• b: 24.528 ± 0.007 Å
• c: 20.765 ± 0.004 Å
• α: 90°
• β: 92.928 ± 0.016°
• γ: 90°
• Cell volume: 4056.4 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1207
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1934
• Weighted residual factors for all reflections included in the refinement: 0.2301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No