Information card for entry 4121408

Structure parameters

• Formula: C37.9 H29.1 N3.3 O9.3 Zn2
• Calculated formula: C37.9 H29.1 N3.3 O9.3 Zn2
• Title of publication: Direct evidence for single-crystal to single-crystal switching of degree of interpenetration in a metal-organic framework.
• Authors of publication: Aggarwal, Himanshu; Bhatt, Prashant M.; Bezuidenhout, Charl X.; Barbour, Leonard J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 10
• Pages of publication: 3776 - 3779
• a: 13.0126 ± 0.0004 Å
• b: 13.1146 ± 0.0004 Å
• c: 13.9071 ± 0.0004 Å
• α: 84.956 ± 0.001°
• β: 69.273 ± 0.001°
• γ: 84.608 ± 0.001°
• Cell volume: 2206.08 ± 0.12 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0568
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No