Information card for entry 7217426

Structure parameters

• Formula: C48 H56 Br4 Cd N4 O10
• Calculated formula: C48 H56 Br4 Cd N4 O10
• Title of publication: Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes
• Authors of publication: Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 31
• Pages of publication: 7320
• a: 18.905 ± 0.0002 Å
• b: 17.3064 ± 0.0001 Å
• c: 31.5699 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10329 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7216362
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No