Information card for entry 4071482

Structure parameters

• Formula: C22 H26 N2 Zn
• Calculated formula: C22 H26 N2 Zn
• SMILES: [Zn]1([N](C)(C)CC[N]1(C)C)(C#Cc1ccccc1)C#Cc1ccccc1
• Title of publication: Synthesis, Structural Authentication, and Structurally Defined Metalation Reactions of Lithium and Sodium DA-Zincate Bases (DA = diisopropylamide) with Phenylacetylene†
• Authors of publication: Clegg, William; García-Álvarez, Joaquín; García-Álvarez, Pablo; Graham, David V.; Harrington, Ross W.; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; Russo, Luca
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 2654
• a: 11.6198 ± 0.0006 Å
• b: 9.6815 ± 0.0006 Å
• c: 18.3865 ± 0.0011 Å
• α: 90°
• β: 107.61 ± 0.003°
• γ: 90°
• Cell volume: 1971.5 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0936
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No