Information card for entry 4328561

Structure parameters

• Formula: C117 H137 Cd2 Cl3 I8 N8 O24
• Calculated formula: C117 H137 Cd2 Cl3 I8 N8 O24
• Title of publication: Blue-Colored, Linear Rigid-Axle [2]Pseudorotaxanes: Metal-Binding Properties, Crystal Structures, and Blue/Red Dichroism
• Authors of publication: Isurika R. Fernando; Gellert Mezei
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 3156 - 3160
• a: 11.5238 ± 0.0004 Å
• b: 13.9373 ± 0.0004 Å
• c: 20.2886 ± 0.0007 Å
• α: 86.472 ± 0.002°
• β: 88.951 ± 0.002°
• γ: 76.119 ± 0.002°
• Cell volume: 3157.39 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1849
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.2105
• Weighted residual factors for all reflections included in the refinement: 0.28
• Goodness-of-fit parameter for all reflections included in the refinement: 0.822
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No