Information card for entry 7113585

Structure parameters

• Formula: C24 H24 Br3 N3
• Calculated formula: C24 H24 Br3 N3
• SMILES: Brc1ccc(c2nn(c[n+]2c2ccc(Br)cc2)C23CC4CC(C2)CC(C4)C3)cc1.[Br-]
• Title of publication: An unprecedented mode of ligation for a bridged amido-cyclopentadienide (constrained geometry) ligand; π-olefinic interactions with gallium and indium
• Authors of publication: Pietryga, Jeffrey M.; Jones, Jamie N.; Mullins, Lucille A.; Wiacek, Robert J.; Cowley, Alan H.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 16
• Pages of publication: 2072 - 2073
• a: 28.819 ± 0.005 Å
• b: 10.496 ± 0.005 Å
• c: 19.591 ± 0.005 Å
• α: 90 ± 0.005°
• β: 119.054 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 5180 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No