Information card for entry 4071478

Structure parameters

• Formula: C20 H48 N3 Na Zn
• Calculated formula: C20 H48 N3 Na Zn
• SMILES: [Zn]([N]([Na]1[N](C)(C)CC[N]1(C)C)(C(C)C)C(C)C)(C(C)(C)C)C(C)(C)C
• 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: 27.7184 ± 0.001 Å
• b: 9.8386 ± 0.0003 Å
• c: 19.6286 ± 0.0007 Å
• α: 90°
• β: 102.215 ± 0.002°
• γ: 90°
• Cell volume: 5231.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No