Information card for entry 7050213

Structure parameters

• Formula: C38 H36 Ga I3 N10
• Calculated formula: C38 H36 Ga I3 N10
• SMILES: [I-].[I-].[I-].[Ga]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.N#CC.N#CC.N#CC.N#CC
• Title of publication: The reactivity of gallium(i) and indium(i) halides towards bipyridines, terpyridines, imino-substituted pyridines and bis(imino)acenaphthenes
• Authors of publication: Baker, Robert J.; Jones, Cameron; Kloth, Marc; Mills, David P.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2004
• Journal volume: 28
• Journal issue: 2
• Pages of publication: 207
• a: 21.246 ± 0.004 Å
• b: 17.803 ± 0.004 Å
• c: 11.048 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4178.8 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No