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Information card for entry 4071268
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| Coordinates | 4071268.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | {BrZn[CH2C(O)NEt2](dmso)}2, (1b) |
|---|---|
| Formula | C16 H36 Br2 N2 O4 S2 Zn2 |
| Calculated formula | C16 H36 Br2 N2 O4 S2 Zn2 |
| SMILES | C1[Zn@]([O]=C(N(CC)CC)C[Zn@@]([O]=C1N(CC)CC)([O]=S(C)C)Br)([O]=S(C)C)Br |
| Title of publication | Solid- and Solution-Phase Structures of Zinc Enolates of Amides and Ketones |
| Authors of publication | Greco, Jeffrey F.; McNevin, Michael J.; Shoemaker, Richard K.; Hagadorn, John R. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 8 |
| Pages of publication | 1948 |
| a | 8.0442 ± 0.0004 Å |
| b | 9.6895 ± 0.0005 Å |
| c | 9.9379 ± 0.0005 Å |
| α | 103.446 ± 0.001° |
| β | 99.177 ± 0.001° |
| γ | 106.337 ± 0.001° |
| Cell volume | 701.65 ± 0.06 Å3 |
| Cell temperature | 147 ± 2 K |
| Ambient diffraction temperature | 147 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.057 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.1356 |
| Weighted residual factors for all reflections included in the refinement | 0.1395 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178601 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/12. |
4071268.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071268.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071268.cif |
| 43128 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071267, 4071268, 4071269, 4071270, 4071271 via cif-deposit CGI script. |
4071268.cif |
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Users of the data should acknowledge the original authors of the
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