Information card for entry 1575210

Structure parameters

• Formula: C56 H79 N6 P Zn
• Calculated formula: C56 H79 N6 P Zn
• Title of publication: Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.
• Authors of publication: Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 34
• Pages of publication: 15462 - 15468
• a: 21.026 ± 0.01 Å
• b: 13.762 ± 0.006 Å
• c: 21.097 ± 0.01 Å
• α: 90°
• β: 118.1 ± 0.016°
• γ: 90°
• Cell volume: 5385 ± 4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.1325
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No