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Information card for entry 4102509
Preview
| Coordinates | 4102509.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | ToMZnOtBu |
|---|---|
| Chemical name | tris(4,4-dimethyl-2-oxazolinyl)phenylborato t-butoxido zinc |
| Formula | C25 H38 B N3 O4 Zn |
| Calculated formula | C25 H38 B N3 O4 Zn |
| SMILES | [Zn]12([N]3=C([B](C4=[N]2C(C)(CO4)C)(C2=[N]1C(C)(CO2)C)c1ccccc1)OCC3(C)C)OC(C)(C)C |
| Title of publication | Conversion of a Zinc Disilazide to a Zinc Hydride Mediated by LiCl |
| Authors of publication | Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 7582 - 7583 |
| a | 8.9377 ± 0.0005 Å |
| b | 11.6073 ± 0.0007 Å |
| c | 13.8143 ± 0.0009 Å |
| α | 96.095 ± 0.001° |
| β | 108.524 ± 0.001° |
| γ | 91.233 ± 0.001° |
| Cell volume | 1348.88 ± 0.14 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0452 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.0785 |
| Weighted residual factors for all reflections included in the refinement | 0.0833 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4102509.cif |
| 178771 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/25. |
4102509.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4102509.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4102509.cif |
| 25390 | 2011-09-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4102509 via cif-deposit CGI script. |
4102509.cif |
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Users of the data should acknowledge the original authors of the
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