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Information card for entry 4102510
Preview
| Coordinates | 4102510.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [THF2Li][ToMZn(Cl)N(SiHMe2)2] |
|---|---|
| Chemical name | bis(tetrahydrofuran)lithium tris(4,4-dimethyl-2-oxazolinyl)phenylborato chloro tetramethyldisilazato Zinc |
| Formula | C37 H67 B Cl Li N4 O6 Si2 Zn |
| Calculated formula | C37 H67 B Cl Li N4 O6 Si2 Zn |
| SMILES | [Zn]1(Cl)(N([SiH](C)C)[SiH](C)C)[N]2C(COC=2[B]2(C3=[N]1C(C[O]3[Li]([N]1=C2OCC1(C)C)([O]1CCCC1)[O]1CCCC1)(C)C)c1ccccc1)(C)C.C1CCCO1 |
| 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 | 13.135 ± 0.003 Å |
| b | 16.024 ± 0.004 Å |
| c | 22.34 ± 0.006 Å |
| α | 90° |
| β | 98.613 ± 0.004° |
| γ | 90° |
| Cell volume | 4649 ± 2 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0897 |
| Residual factor for significantly intense reflections | 0.0522 |
| Weighted residual factors for significantly intense reflections | 0.1178 |
| Weighted residual factors for all reflections included in the refinement | 0.1362 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178771 (current) | 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. |
4102510.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4102510.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4102510.cif |
| 25391 | 2011-09-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4102510 via cif-deposit CGI script. |
4102510.cif |
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