Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4082799
Preview
| Coordinates | 4082799.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H44 Ni Sn2 |
|---|---|
| Calculated formula | C26 H44 Ni Sn2 |
| SMILES | [Sn]1([c]23[Ni]456789%10([cH]2[cH]4[cH]5[cH]36)[c]2([Sn]1(C(C)(C)C)C(C)(C)C)[cH]7[cH]8[cH]9[cH]%102)(C(C)(C)C)C(C)(C)C |
| Title of publication | Tin-Bridgedansa-Metallocenes of the Late Transition Metals Cobalt and Nickel: Preparation, Molecular and Electronic Structures, and Redox Chemistry |
| Authors of publication | Arnold, Thomas; Braunschweig, Holger; Damme, Alexander; Hörl, Christian; Kramer, Thomas; Krummenacher, Ivo; Mager, Julian |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 7 |
| Pages of publication | 1659 |
| a | 16.75 ± 0.001 Å |
| b | 9.2037 ± 0.0006 Å |
| c | 18.4955 ± 0.0011 Å |
| α | 90° |
| β | 110.252 ± 0.003° |
| γ | 90° |
| Cell volume | 2675 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0174 |
| Residual factor for significantly intense reflections | 0.0147 |
| Weighted residual factors for significantly intense reflections | 0.0357 |
| Weighted residual factors for all reflections included in the refinement | 0.0368 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178716 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/27. |
4082799.cif |
| 109797 | 2014-04-17 | cif/ Updating files of 4082799 Original log message: Adding full bibliography for 4082799.cif. |
4082799.cif |
| 109780 | 2014-04-17 | cif/ (saulius@koala.ibt.lt) Restoring in bulk the COD CIFs that had their bibliographies update recently: svn merge -r109779:109651 . The problem was that: a) the COD deposition pipeline incorrectly folded some text fields; b) it removed last page number from some CIFs that had it before. An attempt to updated bibliographies will be repeated with corrected scripts. |
4082799.cif |
| 109662 | 2014-04-17 | cif/ Updating files of 4082799 Original log message: Adding full bibliography for ./tmp-cod-update-bibliographies-28993/cifs/4082799.cif. |
4082799.cif |
| 108666 | 2014-04-02 | cif/ Adding structures of 4082797, 4082798, 4082799, 4082800 via cif-deposit CGI script. |
4082799.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.