Information card for entry 7024668

Structure parameters

• Formula: C43 H47 Ga I2 N3
• Calculated formula: C43 H47 Ga I2 N3
• SMILES: [Ga]12(I)(I)[N](c3c(cccc3C(C)C)C(C)C)=C(c3ccccc3)c3cccc([n]23)C(=[N]1c1c(cccc1C(C)C)C(C)C)c1ccccc1
• 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: 8.411 ± 0.002 Å
• b: 9.72 ± 0.002 Å
• c: 13.536 ± 0.003 Å
• α: 76.463 ± 0.004°
• β: 78.265 ± 0.004°
• γ: 67.402 ± 0.004°
• Cell volume: 985.3 ± 0.4 ų
• Cell temperature: 202 ± 2 K
• Ambient diffraction temperature: 202 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1283
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No