Information card for entry 7037489

Structure parameters

• Formula: C21 H50 N3 Na Zn
• Calculated formula: C21 H50 N3 Na Zn
• SMILES: [Zn](C(C)(C)C)(CCCC)C(C)(C)C.[Na]12[N](C)(C)CC[N]1(C)CC[N]2(C)C
• Title of publication: Synthetic and reactivity studies of hetero-tri-anionic sodium zincates.
• Authors of publication: Francos, Javier; Kennedy, Alan R.; O'Hara, Charles T
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 6222 - 6233
• a: 8.9544 ± 0.0004 Å
• b: 17.3198 ± 0.0006 Å
• c: 17.1909 ± 0.0006 Å
• α: 90°
• β: 93.431 ± 0.004°
• γ: 90°
• Cell volume: 2661.33 ± 0.18 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: 0.0957
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No