Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4122491
Preview
| Coordinates | 4122491.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C71 H66 B Cl3 F20 Ir P Si Zr |
|---|---|
| Calculated formula | C71 H66 B Cl3 F20 Ir P Si Zr |
| Title of publication | Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions. |
| Authors of publication | Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 35 |
| Pages of publication | 12431 - 12443 |
| a | 12.6173 ± 0.0002 Å |
| b | 17.7631 ± 0.0003 Å |
| c | 18.1774 ± 0.0002 Å |
| α | 88.657 ± 0.001° |
| β | 78.536 ± 0.001° |
| γ | 87.268 ± 0.001° |
| Cell volume | 3987.74 ± 0.1 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.05 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.1102 |
| Weighted residual factors for all reflections included in the refinement | 0.1143 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179026 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/24. |
4122491.cif |
| 122981 | 2014-09-06 | cif/ Updating files of 4122478, 4122479, 4122480, 4122481, 4122482, 4122483, 4122484, 4122485, 4122486, 4122487, 4122488, 4122489, 4122490, 4122491 Original log message: Adding full bibliography for 4122478--4122491.cif. |
4122491.cif |
| 122491 | 2014-08-26 | cif/ Adding structures of 4122485, 4122486, 4122487, 4122488, 4122489, 4122490, 4122491 via cif-deposit CGI script. |
4122491.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.