Information card for entry 7120764

Structure parameters

• Formula: C118.5 H194.5 Cl11.5 N4 O56 Pd2
• Calculated formula: C118.5 H194.5 Cl11.5 N4 O56 Pd2
• Title of publication: Aza-capped cyclodextrins for intra-cavity metal complexation
• Authors of publication: Sechet, D.; Kaya, Z.; Phan, T.-A.; Jouffroy, M.; Bentouhami, E.; Armspach, D.; Matt, D.; Toupet, L.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 15.7481 ± 0.0002 Å
• b: 31.2188 ± 0.0005 Å
• c: 33.7366 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16586.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1289
• Residual factor for significantly intense reflections: 0.1236
• Weighted residual factors for significantly intense reflections: 0.3477
• Weighted residual factors for all reflections included in the refinement: 0.3546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.531
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No