Information card for entry 7240622

Structure parameters

• Formula: C84 H70 Al4 Cl12 N14
• Calculated formula: C84 H70 Al4 Cl12 N14
• Title of publication: Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks
• Authors of publication: Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 12.0435 ± 0.0002 Å
• b: 28.2798 ± 0.0005 Å
• c: 26.113 ± 0.0004 Å
• α: 90°
• β: 99.9744 ± 0.0017°
• γ: 90°
• Cell volume: 8759.3 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 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: 0.0535
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No