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Information card for entry 7107263
Preview
Coordinates | 7107263.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H61 N4 Na O Zn |
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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 Å3 |
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 |
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