Information card for entry 1520529

Structure parameters

• Formula: C51 H30 Co3 N3 O12
• Calculated formula: C51 H30 Co3 N3 O12
• Title of publication: Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework
• Authors of publication: Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 4986
• a: 17.173 ± 0.006 Å
• b: 19.784 ± 0.007 Å
• c: 13.887 ± 0.005 Å
• α: 90°
• β: 95.771 ± 0.004°
• γ: 90°
• Cell volume: 4694 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No