Information card for entry 1520528

Structure parameters

• Formula: C17 H10 Co N O4
• Calculated formula: C17 H10 Co N O4
• 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: 7.6397 ± 0.0012 Å
• b: 10.4311 ± 0.0017 Å
• c: 10.9968 ± 0.0018 Å
• α: 71.121 ± 0.012°
• β: 87.061 ± 0.012°
• γ: 83.361 ± 0.012°
• Cell volume: 823.5 ± 0.2 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: 0.1276
• Residual factor for significantly intense reflections: 0.0958
• Weighted residual factors for significantly intense reflections: 0.2632
• Weighted residual factors for all reflections included in the refinement: 0.2806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No