Information card for entry 7714033

Structure parameters

• Formula: C47 H77 Cs N4 O6
• Calculated formula: C47 H77 Cs N4 O6
• Title of publication: Revealing unbound β-diketiminate anions: structural dynamics from caesium complexes.
• Authors of publication: Videa, Hellen; Martínez-Martínez, Antonio J
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 37
• Pages of publication: 13058 - 13062
• a: 16.4068 ± 0.0006 Å
• b: 15.8513 ± 0.0005 Å
• c: 19.0928 ± 0.0008 Å
• α: 90°
• β: 95.59 ± 0.001°
• γ: 90°
• Cell volume: 4941.8 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No