Information card for entry 4107204

Structure parameters

• Formula: C58.65 H45.93 Co N12.72 O2.72 S2
• Calculated formula: C58.724 H45.997 Co N12.727 O2.727 S2
• Title of publication: Bimolecular Reaction via the Successive Introduction of Two Substrates into the Crystals of Networked Molecular Cages
• Authors of publication: Yasuhide Inokuma; Nodoka Kojima; Tatsuhiko Arai; Makoto Fujita
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 19691 - 19693
• a: 74.992 ± 0.003 Å
• b: 74.992 ± 0.003 Å
• c: 74.992 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 421740 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• 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: 0.1747
• Residual factor for significantly intense reflections: 0.1581
• Weighted residual factors for significantly intense reflections: 0.3892
• Weighted residual factors for all reflections included in the refinement: 0.3986
• Goodness-of-fit parameter for all reflections included in the refinement: 2.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No