Information card for entry 4111658

Structure parameters

• Formula: C25 H48 N3 Na Zn
• Calculated formula: C25 H48 N3 Na Zn
• SMILES: C(C)(C)(C)[Zn]([N]12C(CCCC1(C)C)(C)C)[c]1(ccccc1)[Na]12[N](C)(C)CC[N]1(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: 16.5118 ± 0.0005 Å
• b: 10.9189 ± 0.0002 Å
• c: 16.8603 ± 0.0005 Å
• α: 90°
• β: 111.755 ± 0.001°
• γ: 90°
• Cell volume: 2823.26 ± 0.13 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0963
• 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