Information card for entry 4319766

Structure parameters

• Common name: NacNacGaI2
• Formula: C29 H41 Ga I2 N2
• Calculated formula: C29 H41 Ga I2 N2
• SMILES: I[Ga]1(I)[N](c2c(C(C)C)cccc2C(C)C)=C(C=C(N1c1c(C(C)C)cccc1C(C)C)C)C
• Title of publication: Synthesis and Characterization of HC{C(Me)N(C6H3-2,6-i-Pr2)}2MX2 (M = Al, X = Cl, I; M = Ga, In, X = Me, Cl, I): Sterically Encumbered β-Diketiminate Group 13 Metal Derivatives
• Authors of publication: Matthias Stender; Barrett E. Eichler; Ned J. Hardman; Philip P. Power; Jörg Prust; Mathias Noltemeyer; Herbert W. Roesky
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2794 - 2799
• a: 18.8237 ± 0.0007 Å
• b: 8.619 ± 0.0003 Å
• c: 20.072 ± 0.0007 Å
• α: 90°
• β: 113.388 ± 0.001°
• γ: 90°
• Cell volume: 2988.95 ± 0.19 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• 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: 0.0216
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 0.659
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No