Information card for entry 7708093

Structure parameters

• Formula: C92 H116 Al2 I2 N6
• Calculated formula: C92 H116 Al2 I2 N6
• SMILES: [Al@@]12(I)n3c4c(cc(cc4c4cc(cc(c34)[C@@H](N2c2c(cccc2C(C)C)C(C)C)[C@@H]2N([Al@]3(I)n4c5c2cc(cc5c2cc(cc(c42)C=[N]3c2c(cccc2C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)c2c(cccc2C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)C=[N]1c1c(cccc1C(C)C)C(C)C.[Al@]12(I)n3c4c(cc(cc4c4cc(cc(c34)[C@H](N2c2c(cccc2C(C)C)C(C)C)[C@H]2N([Al@@]3(I)n4c5c2cc(cc5c2cc(cc(c42)C=[N]3c2c(cccc2C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)c2c(cccc2C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)C=[N]1c1c(cccc1C(C)C)C(C)C
• Title of publication: A bis(imino)carbazolate pincer ligand stabilized mononuclear gallium(I) compound: synthesis, characterization, and reactivity.
• Authors of publication: Li, Hao; He, Yuhao; Liu, Chunmeng; Tan, Gengwen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 36
• Pages of publication: 12674 - 12680
• a: 18.3541 ± 0.0017 Å
• b: 21.0425 ± 0.0019 Å
• c: 24.667 ± 0.002 Å
• α: 90°
• β: 108.628 ± 0.004°
• γ: 90°
• Cell volume: 9027.7 ± 1.4 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 5
• 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: 0.0549
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No