Information card for entry 7024666

Structure parameters

• Formula: C50 H58 Cl9 Ga2 I6 N3
• Calculated formula: C50 H58 Cl9 Ga2 I6 N3
• SMILES: [Ga]12(I)(I)[N](c3c(ccc(c3)C(C)(C)C)C(C)(C)C)=C(c3ccccc3)c3[n]1c(ccc3)C(=[N]2c1c(ccc(c1)C(C)(C)C)C(C)(C)C)c1ccccc1.[Ga](I)(I)(I)[I-].ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Disproportionation and radical formation in the coordination of "GaI" with bis(imino)pyridines.
• Authors of publication: Jurca, Titel; Dawson, Karl; Mallov, Ian; Burchell, Tara; Yap, Glenn P. A.; Richeson, Darrin S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 5
• Pages of publication: 1266 - 1272
• a: 20.582 ± 0.008 Å
• b: 16.057 ± 0.007 Å
• c: 22.528 ± 0.009 Å
• α: 90°
• β: 113.432 ± 0.006°
• γ: 90°
• Cell volume: 6831 ± 5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1792
• Weighted residual factors for all reflections included in the refinement: 0.1969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No