Information card for entry 7050212

Structure parameters

• Formula: C33 H43 Ga2 I6 N3
• Calculated formula: C33 H43 Ga2 I6 N3
• SMILES: I[Ga]12(I)[N](=C(C)c3[n]1c(C(=[N]2c1c(cccc1C(C)C)C(C)C)C)ccc3)c1c(cccc1C(C)C)C(C)C.I[Ga](I)([I-])I
• 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: 10.285 ± 0.002 Å
• b: 13.001 ± 0.003 Å
• c: 16.458 ± 0.003 Å
• α: 76.95 ± 0.03°
• β: 86.76 ± 0.03°
• γ: 81.91 ± 0.03°
• Cell volume: 2121.8 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1652
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No