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Information card for entry 4064049
Preview
| Coordinates | 4064049.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H45 N3 O3 Zn3 |
|---|---|
| Calculated formula | C21 H45 N3 O3 Zn3 |
| SMILES | [Zn]12([O]([Zn]3([O]([Zn]4([O]1C(=[N]4C(C)(C)C)C)C)C(=[N]3C(C)(C)C)C)C)C(=[N]2C(C)(C)C)C)C |
| Title of publication | Insertion Reactions of Heterocumulenes into Zn−C Bonds: Synthesis and Structural Characterization of Multinuclear Zinc Amidate Complexes |
| Authors of publication | Schmidt, Sarah; Schäper, Raphaela; Schulz, Stephan; Bläser, Dieter; Wölper, Christoph |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 5 |
| Pages of publication | 1073 |
| a | 9.0753 ± 0.0004 Å |
| b | 12.382 ± 0.0005 Å |
| c | 14.3193 ± 0.0006 Å |
| α | 75.062 ± 0.002° |
| β | 76.264 ± 0.002° |
| γ | 71.623 ± 0.002° |
| Cell volume | 1453.84 ± 0.11 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 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 | 0.0369 |
| Residual factor for significantly intense reflections | 0.0283 |
| Weighted residual factors for significantly intense reflections | 0.0696 |
| Weighted residual factors for all reflections included in the refinement | 0.0767 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178502 (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 4/06/40. |
4064049.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064049.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064049.cif |
| 32769 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4064048, 4064049, 4064050 via cif-deposit CGI script. |
4064049.cif |
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Users of the data should acknowledge the original authors of the
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