Information card for entry 7107263

Structure parameters

• Formula: C28 H61 N4 Na O Zn
• Calculated formula: C28 H61 N4 Na O Zn
• SMILES: C1(CCCC([N]21[Zn]([O](N1C(CCCC1(C)C)(C)C)[Na]12[N](C)(C)CC[N]1(C)C)C(C)(C)C)(C)C)(C)C
• Title of publication: Single electron transfer (SET) activity of the dialkyl-amido sodium zincate [(TMEDA)*Na(m-TMP)(m-tBu)Zn(tBu)] towards TEMPO and chalcone
• Authors of publication: David Armstrong; Liam Balloch; James Crawford; Ben Fleming; Lorna Hogg; A.R. Kennedy; Jan Klett; Stuart Robertson; Samantha Orr; Charles T. O'Hara
• Journal of publication: Chem. Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 1541
• a: 17.3607 ± 0.0004 Å
• b: 13.0692 ± 0.0004 Å
• c: 28.9589 ± 0.0008 Å
• α: 90°
• β: 98.01 ± 0.001°
• γ: 90°
• Cell volume: 6506.4 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No