Information card for entry 7050206

Structure parameters

• Formula: C96 H92 Ga6 I12 N24 O4
• Calculated formula: C96 H88 Ga6 I12 N24 O4
• SMILES: c1cccc2c3cccc[n]3[Ga]34([n]12)([n]1ccccc1c1[n]3cccc1)O[Ga]12([n]3c(c5[n]1cccc5)cccc3)([n]1ccccc1c1[n]2cccc1)O4.[I-].[I-].[I-].I[Ga](I)(I)[Ga](I)(I)I.N#CC.CC#N.CC#N.CC#N.c1cccc2c3cccc[n]3[Ga]34([n]12)([n]1ccccc1c1[n]3cccc1)O[Ga]12([n]3ccccc3c3[n]1cccc3)([n]1ccccc1c1[n]2cccc1)O4.[I-].[I-].[I-].N#CC.CC#N.CC#N.CC#N
• 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: 28.873 ± 0.006 Å
• b: 14.539 ± 0.003 Å
• c: 29.261 ± 0.006 Å
• α: 90°
• β: 101.29 ± 0.03°
• γ: 90°
• Cell volume: 12046 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0898
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No