Information card for entry 1508098

Structure parameters

• Formula: C80 H64.5 Co N14.5 S2
• Calculated formula: C80 H64.5 Co N14.5 S2
• Title of publication: Networked molecular cages as crystalline sponges for fullerenes and other guests.
• Authors of publication: Inokuma, Yasuhide; Arai, Tatsuhiko; Fujita, Makoto
• Journal of publication: Nature chemistry
• Year of publication: 2010
• Journal volume: 2
• Journal issue: 9
• Pages of publication: 780 - 783
• a: 74.972 ± 0.002 Å
• b: 74.972 ± 0.002 Å
• c: 74.972 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 421403 ± 19 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 228
• Hermann-Mauguin space group symbol: F d -3 c :2
• Hall space group symbol: -F 4ud 2vw 3
• Residual factor for all reflections: 0.1916
• Residual factor for significantly intense reflections: 0.1479
• Weighted residual factors for significantly intense reflections: 0.3883
• Weighted residual factors for all reflections included in the refinement: 0.4544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No