Information card for entry 7240617

Structure parameters

• Formula: C36 H30 Al4 Br12 N6
• Calculated formula: C36 H30 Al4 Br12 N6
• 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: 11.6526 ± 0.0003 Å
• b: 14.1736 ± 0.0003 Å
• c: 16.6431 ± 0.0004 Å
• α: 106.005 ± 0.002°
• β: 97.842 ± 0.002°
• γ: 91.731 ± 0.002°
• Cell volume: 2610.86 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No