Information card for entry 7245835

Structure parameters

• Formula: C24 H24 Al Br3 N4
• Calculated formula: C24 H24 Al Br3 N4
• Title of publication: Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands
• Authors of publication: Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 11.7677 ± 0.0005 Å
• b: 9.7423 ± 0.0007 Å
• c: 11.5702 ± 0.0006 Å
• α: 90°
• β: 107.931 ± 0.005°
• γ: 90°
• Cell volume: 1262.03 ± 0.13 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.0903
• Weighted residual factors for significantly intense reflections: 0.2379
• Weighted residual factors for all reflections included in the refinement: 0.2432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6888 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No