Information card for entry 7113586

Structure parameters

• Formula: C24 H23 Br2 N3
• Calculated formula: C24 H23 Br2 N3
• SMILES: Brc1ccc(C2N(c3ccc(Br)cc3)[C]N(N=2)C23CC4CC(C2)CC(C3)C4)cc1
• 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: 7.489 ± 0.005 Å
• b: 12.008 ± 0.005 Å
• c: 12.485 ± 0.005 Å
• α: 80.89 ± 0.005°
• β: 75.043 ± 0.005°
• γ: 79.011 ± 0.005°
• Cell volume: 1057.7 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No