Information card for entry 1514738

Structure parameters

• Formula: C47 H77 N2 Na O3 Zn
• Calculated formula: C47 H77 N2 Na O3 Zn
• SMILES: [Zn](c1n(c([Na]([O]2CCCC2)([O]2CCCC2)[O]2CCCC2)[n+](c1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion
• Authors of publication: Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 11
• Pages of publication: 4259
• a: 11.948 ± 0.0006 Å
• b: 15.878 ± 0.0008 Å
• c: 24.9404 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4731.5 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No