Information card for entry 4102538

Structure parameters

• Formula: C76 H84 Ga2 N4
• Calculated formula: C76 H84 Ga2 N4
• SMILES: [Ga]12([Ga]34N([C@]5(C(=[N]3c3c(cccc3C(C)C)C(C)C)c3c6c5cccc6ccc3)C=C4)c3c(cccc3C(C)C)C(C)C)N([C@]3(C(=[N]1c1c(cccc1C(C)C)C(C)C)c1c4c3cccc4ccc1)C=C2)c1c(cccc1C(C)C)C(C)C.[Ga]12([Ga]34N([C@@]5(C(=[N]3c3c(cccc3C(C)C)C(C)C)c3c6c5cccc6ccc3)C=C4)c3c(cccc3C(C)C)C(C)C)N([C@@]3(C(=[N]1c1c(cccc1C(C)C)C(C)C)c1c4c3cccc4ccc1)C=C2)c1c(cccc1C(C)C)C(C)C
• Title of publication: Reversible Addition of Alkynes to Gallium Complex of Chelating Diamide Ligand
• Authors of publication: Igor L. Fedushkin; Alexander S. Nikipelov; Konstantin A. Lyssenko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 7874 - 7875
• a: 17.741 ± 0.002 Å
• b: 26.137 ± 0.003 Å
• c: 13.6513 ± 0.0017 Å
• α: 90°
• β: 89.915 ± 0.003°
• γ: 90°
• Cell volume: 6330.1 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No