Information card for entry 4111657

Structure parameters

• Formula: C23 H52 N3 Na Zn
• Calculated formula: C23 H52 N3 Na Zn
• SMILES: C1C[N](C)([Na]([N]1(C)C)[N]1([Zn](C(C)(C)C)C(C)(C)C)C(CCCC1(C)C)(C)C)C
• Title of publication: Sodium Dialkyl-amidozincates: Alkyl or Amido Bases? An Experimental and Theoretical Case Study
• Authors of publication: Prokopis C. Andrikopoulos; David R. Armstrong; Helen R. L. Barley; William Clegg; Sophie H. Dale; Eva Hevia; Gordon W. Honeyman; Alan R. Kennedy; Robert E. Mulvey
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 6184 - 6185
• a: 27.382 ± 0.004 Å
• b: 10.834 ± 0.002 Å
• c: 18.963 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5625 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1255
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.2098
• Weighted residual factors for all reflections included in the refinement: 0.2414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No