Information card for entry 7716999

Structure parameters

• Formula: C67 H37 B F20 N2 Zn
• Calculated formula: C67 H37 B F20 N2 Zn
• 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: 13.6401 ± 0.0006 Å
• b: 15.135 ± 0.0005 Å
• c: 29.7202 ± 0.0013 Å
• α: 91.475 ± 0.001°
• β: 96.885 ± 0.002°
• γ: 112.9 ± 0.001°
• Cell volume: 5593.6 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No