Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7012921
Preview
| Coordinates | 7012921.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H74 K2 O8 Si4 Zn2 |
|---|---|
| Calculated formula | C30 H74 K2 O8 Si4 Zn2 |
| SMILES | [Zn]12([O]3([K]4([O]5([Zn]3([O]1([K]5([O]24[Si](C)(C)C)([O]1CCCC1)[O]1CCCC1)[Si](C)(C)C)C)[Si](C)(C)C)([O]1CCCC1)[O]1CCCC1)[Si](C)(C)C)C |
| Title of publication | Facile synthesis and structural variation of novel heterobimetallic alkali metal?zinc-alkoxide and -siloxide clustersElectronic supplementary information (ESI) available: the ESI spectra of the reaction mixtures tBuOLi + ZnMe2, Me3SiOK + ZnMe2 and tBuOK + ZnMe2. See http://www.rsc.org/suppdata/dt/b3/b302585c/ |
| Authors of publication | Merz, Klaus; Block, Stefan; Schoenen, Robert; Driess, Matthias |
| Journal of publication | Dalton Transactions |
| Year of publication | 2003 |
| Journal issue | 17 |
| Pages of publication | 3365 |
| a | 24.379 ± 0.004 Å |
| b | 13.394 ± 0.003 Å |
| c | 15.094 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4928.7 ± 1.7 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0754 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.0944 |
| Weighted residual factors for all reflections included in the refinement | 0.1095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7012921.cif |
| 179833 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/29. |
7012921.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7012921.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7012921.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7012921.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.