Information card for entry 7105599

Structure parameters

• Formula: C161 H155 N19 Ni8 O24
• Calculated formula: C161 H155 N19 Ni8 O24
• Title of publication: Magnetism in metal‒organic capsules
• Authors of publication: Atwood, Jerry L.; Brechin, Euan K.; Dalgarno, Scott J.; Inglis, Ross; Jones, Leigh F.; Mossine, Andrew; Paterson, Martin J.; Power, Nicholas P.; Teat, Simon J.
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 20
• Pages of publication: 3484
• a: 19.7468 ± 0.0009 Å
• b: 27.6774 ± 0.0013 Å
• c: 53.647 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 29320 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.2007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No