Information card for entry 7037494

Structure parameters

• Formula: C30 H52 N3 Na Zn
• Calculated formula: C30 H52 N3 Na Zn
• SMILES: C(C)(C)(C)[Zn]([CH2]1CCC)[N]([C@H](C)c2ccccc2)([C@@H](c2ccccc2)C)[Na]21[N](CC[N]2(C)C)(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: 11.3918 ± 0.0002 Å
• b: 12.8158 ± 0.0003 Å
• c: 21.9314 ± 0.0004 Å
• α: 90°
• β: 95.897 ± 0.002°
• γ: 90°
• Cell volume: 3184.93 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No