Information card for entry 7240621

Structure parameters

• Formula: C72 H60 Al4 Br12 N12
• Calculated formula: C72 H60 Al4 Br12 N12
• 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: 11.3604 ± 0.0004 Å
• b: 13.2572 ± 0.0004 Å
• c: 14.17 ± 0.0004 Å
• α: 82.947 ± 0.002°
• β: 89.402 ± 0.002°
• γ: 73.162 ± 0.003°
• Cell volume: 2026.44 ± 0.12 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0565
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No