Information card for entry 7716998

Structure parameters

• Formula: C132 H70 B2 Cl4 F40 N4 O2 Zn2
• Calculated formula: C132 H70 B2 Cl4 F40 N4 O2 Zn2
• Title of publication: Low coordinate Zn(II) organocations bearing extremely bulky NHC ligands: structural features, air-/water-tolerance and use in hydrosilylation and hydrogenation catalysis.
• Authors of publication: Xu, Xuejuan; Parmentier, Jordan; Gourlaouen, Christophe; Jacques, Béatrice; Dagorne, Samuel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 38
• Pages of publication: 15849 - 15858
• a: 12.4064 ± 0.0004 Å
• b: 16.6548 ± 0.0005 Å
• c: 29.3148 ± 0.0011 Å
• α: 82.936 ± 0.001°
• β: 82.64 ± 0.001°
• γ: 73.78 ± 0.001°
• Cell volume: 5744 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No