Information card for entry 7106474

Structure parameters

• Formula: C34 H42 Cl2 Cu N7 O13
• Calculated formula: C34 H40 Cl2 Cu N7 O13
• SMILES: C1C[NH]2Cc3ccc(cc3)OCC(=O)NCc3cccc(c3)CNC(=O)COc3ccc(cc3)C[NH]3CC[NH]1[Cu]23([N]#CC)[N]#CC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.O
• 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: 9.328 ± 0.002 Å
• b: 29.816 ± 0.006 Å
• c: 15.503 ± 0.003 Å
• α: 90°
• β: 109.638 ± 0.01°
• γ: 90°
• Cell volume: 4061 ± 1.5 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: 0.1174
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No