Information card for entry 7063396

Structure parameters

• Formula: C92 H88 Cl8 Co4 N8 O13
• Calculated formula: C92 H88 Cl8 Co4 N8 O13
• Title of publication: Synthesis of a tube-like tetra-bipyridyl, tetra-ethylacetato-calix[4]arene in 1,3-alternate conformation and the unexpected crystal structure of its [bpy(CoCl2)]3-[bpy(CoCl2)(H2O)] complex
• Authors of publication: Mourer, Maxime; Bouizi, Younes; Leclerc, Sébastien; Malaman, Bernard; Regnouf de Vains, Jean-Bernard
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 35
• Pages of publication: 15577 - 15589
• a: 13.1367 ± 0.0019 Å
• b: 16.011 ± 0.002 Å
• c: 23.77 ± 0.004 Å
• α: 75.598 ± 0.004°
• β: 83.619 ± 0.005°
• γ: 71.724 ± 0.004°
• Cell volume: 4595.2 ± 1.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No