Information card for entry 1520525

Structure parameters

• Formula: C34 H20 Co2 N2 O8
• Calculated formula: C34 H20 Co2 N2 O8
• 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: 12.956 ± 0.003 Å
• b: 13.122 ± 0.003 Å
• c: 13.752 ± 0.003 Å
• α: 84.973 ± 0.003°
• β: 67.595 ± 0.003°
• γ: 83.245 ± 0.003°
• Cell volume: 2144.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No