Information card for entry 1569927

Structure parameters

• Formula: C71 H106 Cl2 Ga2 N2 Ni P2 Si2
• Calculated formula: C71 H106 Cl2 Ga2 N2 Ni P2 Si2
• 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: 15.629 ± 0.003 Å
• b: 22.82 ± 0.005 Å
• c: 20.425 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7285 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.1045
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No