Information card for entry 4120433

Structure parameters

• Formula: C36 H52 Cl2 Cu2 N16 O13
• Calculated formula: C36 H52 Cl2 Cu2 N16 O13
• Title of publication: Rotating phenyl rings as a guest-dependent switch in two-dimensional metal-organic frameworks.
• Authors of publication: Murdock, Christopher R.; McNutt, Nicholas W.; Keffer, David J.; Jenkins, David M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 2
• Pages of publication: 671 - 678
• a: 21.5868 ± 0.001 Å
• b: 7.3214 ± 0.0003 Å
• c: 18.2301 ± 0.001 Å
• α: 90°
• β: 116.799 ± 0.003°
• γ: 90°
• Cell volume: 2571.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1354
• Residual factor for significantly intense reflections: 0.113
• Weighted residual factors for significantly intense reflections: 0.3167
• Weighted residual factors for all reflections included in the refinement: 0.3414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No