Information card for entry 7106475

Structure parameters

• Formula: C42 H45 Cl2 Cu N7 O14
• Calculated formula: C42 H30 Cl2 Cu N7 O14
• Title of publication: Cu(II) assisted self-sorting towards pseudorotaxane formation
• Authors of publication: Subrata Saha; I. Ravikumar; Pradyut Ghosh
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 6272
• a: 11.7929 ± 0.0009 Å
• b: 11.6986 ± 0.0009 Å
• c: 32.65 ± 0.002 Å
• α: 90°
• β: 97.443 ± 0.002°
• γ: 90°
• Cell volume: 4466.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.1791
• 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