Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4102511
Preview
| Coordinates | 4102511.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [NBu4][ToMZn(Cl)N(SiHMe2)2] |
|---|---|
| Chemical name | [NBu4]chloro tris(4,4-Me-2-oxazolinyl)phenylborato tetramethyldisilazato zinc |
| Formula | C41 H79 B Cl N5 O3 Si2 Zn |
| Calculated formula | C41 H79 B Cl N5 O3 Si2 Zn |
| SMILES | [Zn]1(Cl)([N]2C(C)(C)COC=2[B](C2=[N]1C(CO2)(C)C)(C1=NC(CO1)(C)C)c1ccccc1)N([SiH](C)C)[SiH](C)C.C(CCC)[N+](CCCC)(CCCC)CCCC |
| 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 | 21.8574 ± 0.0009 Å |
| b | 14.4461 ± 0.0006 Å |
| c | 15.6143 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4930.3 ± 0.3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0461 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0705 |
| Weighted residual factors for all reflections included in the refinement | 0.0754 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| 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. |
4102511.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4102511.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4102511.cif |
| 25392 | 2011-09-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4102511 via cif-deposit CGI script. |
4102511.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.