Information card for entry 7240615

Structure parameters

• Common name: beta polymorph
• Formula: C12 H10 Br6 Ga2 N2
• Calculated formula: C12 H10 Br6 Ga2 N2
• 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: 6.56821 ± 0.00014 Å
• b: 8.50459 ± 0.00016 Å
• c: 18.1626 ± 0.0004 Å
• α: 90°
• β: 96.7181 ± 0.0019°
• γ: 90°
• Cell volume: 1007.6 ± 0.04 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No