Information card for entry 1508097

Structure parameters

• Formula: C102 H64 Co3 N30 S22
• Calculated formula: C102 H64 Co3 N30 S22
• 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: 26.405 ± 0.004 Å
• b: 26.405 ± 0.004 Å
• c: 36.631 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 25540 ± 6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 136
• Hermann-Mauguin space group symbol: P 42/m n m
• Hall space group symbol: -P 4n 2n
• Residual factor for all reflections: 0.1476
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.2257
• Weighted residual factors for all reflections included in the refinement: 0.2604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No