Information card for entry 7110389

Structure parameters

• Formula: C96 H30 N4 Ni
• Calculated formula: C96 H30 N4 Ni
• Title of publication: Confinement of C70 in an extended saddle shaped nickel(II) macrocycle
• Authors of publication: Croucher, Peter D.; Marshall, Jodie M. E.; Nichols, Peter J.; Raston, Colin L.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 2
• Pages of publication: 193
• a: 14.9165 ± 0.0005 Å
• b: 18.8797 ± 0.0007 Å
• c: 19.5635 ± 0.0004 Å
• α: 90°
• β: 105.49 ± 0.001°
• γ: 90°
• Cell volume: 5309.3 ± 0.3 ų
• Cell temperature: 173.2 K
• Ambient diffraction temperature: 173.2 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 significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.0474
• Goodness-of-fit parameter for significantly intense reflections: 2.727
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No