Information card for entry 7037496

Structure parameters

• Formula: C28 H61 N4 Na O Zn
• Calculated formula: C28 H61 N4 Na O Zn
• SMILES: [N]12(C(C)(C)CCCC1(C)C)[Zn](CCCC)[O](N1C(C)(C)CCCC1(C)C)[Na]12[N](C)(C)CC[N]1(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: 10.5426 ± 0.0009 Å
• b: 10.6529 ± 0.0009 Å
• c: 15.3375 ± 0.0013 Å
• α: 86.581 ± 0.007°
• β: 73.239 ± 0.008°
• γ: 76.553 ± 0.007°
• Cell volume: 1604.1 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No