Information card for entry 7050207

Structure parameters

• Formula: C50 H49 Ga2 I4 N13 O2
• Calculated formula: C50 H47 Ga2 I4 N13 O2
• SMILES: [I-].[I-].[I-].[I-].[Ga]123(O[Ga]45(O1)([n]1ccccc1c1[n]4cccc1)[n]1ccccc1c1[n]5cccc1)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.N#CC.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: 11 ± 0.002 Å
• b: 12.525 ± 0.003 Å
• c: 21.899 ± 0.004 Å
• α: 105.18 ± 0.03°
• β: 94.44 ± 0.03°
• γ: 99.69 ± 0.03°
• Cell volume: 2846.8 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No