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Information card for entry 4072058
Preview
| Coordinates | 4072058.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H52 Mg N2 O3 |
|---|---|
| Calculated formula | C34 H52 Mg N2 O3 |
| SMILES | [Mg]1(N(C(C)=C(N1c1c(cc(cc1C)C)C)C)c1c(cc(cc1C)C)C)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1 |
| Title of publication | Sodium and Magnesium Complexes with Dianionic α-Diimine Ligands |
| Authors of publication | Liu, Yanyan; Yang, Peiju; Yu, Jie; Yang, Xiao-Juan; Zhang, Jun D.; Chen, Zhongfang; Schaefer, Henry F.; Wu, Biao |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 22 |
| Pages of publication | 5830 |
| a | 9.919 ± 0.002 Å |
| b | 10.934 ± 0.002 Å |
| c | 16.185 ± 0.003 Å |
| α | 74.76 ± 0.03° |
| β | 76.25 ± 0.03° |
| γ | 82.97 ± 0.03° |
| Cell volume | 1641.7 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1082 |
| Residual factor for significantly intense reflections | 0.0607 |
| Weighted residual factors for significantly intense reflections | 0.1727 |
| Weighted residual factors for all reflections included in the refinement | 0.2014 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.926 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178609 (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 4/07/20. |
4072058.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072058.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072058.cif |
| 44201 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072054, 4072055, 4072056, 4072057, 4072058 via cif-deposit CGI script. |
4072058.cif |
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Users of the data should acknowledge the original authors of the
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