Information card for entry 1569923

Structure parameters

• Formula: C31 H43 Cl2 Ga N P Si
• Calculated formula: C31 H43 Cl2 Ga N P Si
• SMILES: [Ga]1(Cl)([P](c2ccccc2)(C[Si](N1c1c(C(C)C)cccc1C(C)C)(C(C)C)C(C)C)c1ccccc1)Cl
• Title of publication: On the σ-complex character of bis(gallyl)/digallane transition metal species.
• Authors of publication: Kalkuhl, Till L.; Qin, Lei; Zhao, Lili; Frenking, Gernot; Hadlington, Terrance J.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 40
• Pages of publication: 11088 - 11095
• a: 9.86 ± 0.002 Å
• b: 9.92 ± 0.002 Å
• c: 18.12 ± 0.004 Å
• α: 81.9 ± 0.03°
• β: 84.7 ± 0.03°
• γ: 67.4 ± 0.03°
• Cell volume: 1618.5 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No