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Information card for entry 4066400
Preview
| Coordinates | 4066400.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H52 N4 O2 Zn4 |
|---|---|
| Calculated formula | C20 H52 N4 O2 Zn4 |
| SMILES | C[Zn]12[O]3C(C[N](C)(C)[Zn]3(C)[O]2C(C[N]1(C)C)C[N](C)(C)[Zn](C)C)C[N](C)(C)[Zn](C)C |
| Title of publication | Structural Study of the Reaction of Methylzinc Amino Alcoholates with Oxygen |
| Authors of publication | Hollingsworth, Nathan; Johnson, Andrew L.; Kingsley, Andrew; Kociok-Köhn, Gabriele; Molloy, Kieran C. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 15 |
| Pages of publication | 3318 |
| a | 8.0653 ± 0.0003 Å |
| b | 9.5037 ± 0.0004 Å |
| c | 10.5151 ± 0.0005 Å |
| α | 93.155 ± 0.002° |
| β | 112.003 ± 0.002° |
| γ | 100.315 ± 0.002° |
| Cell volume | 728.58 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0579 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.1014 |
| Weighted residual factors for all reflections included in the refinement | 0.1092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178556 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/64. |
4066400.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066400.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066400.cif |
| 33885 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066399, 4066400, 4066401, 4066402, 4066403, 4066404, 4066405 via cif-deposit CGI script. |
4066400.cif |
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Users of the data should acknowledge the original authors of the
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