Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2241415
Preview
| Coordinates | 2241415.cif |
|---|---|
| Structure factors | 2241415.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dimethyl-1κ^2^<i>C</i>-bis(μ-4-methylphenolato-1:2κ^2^<i>O</i>:<i>O</i>)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-2κ^2^<i>N</i>,<i>N</i>')indium(III)lithium(I) |
|---|---|
| Formula | C22 H36 In Li N2 O2 |
| Calculated formula | C22 H36 In Li N2 O2 |
| SMILES | [In]1([O]([Li]2([O]1c1ccc(cc1)C)[N](CC[N]2(C)C)(C)C)c1ccc(cc1)C)(C)C |
| Title of publication | Crystal structure of dimethyl-1κ^2^<i>C</i>-bis(μ-4-methylphenolato-1:2κ^2^<i>O</i>:<i>O</i>)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-2κ^2^<i>N</i>,<i>N</i>')indium(III)lithium(I) |
| Authors of publication | Briand, Glen G.; Decken, Andreas; Hoey, Marshall R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | m257 - m258 |
| a | 9.0991 ± 0.0008 Å |
| b | 16.4481 ± 0.0015 Å |
| c | 16.4256 ± 0.0015 Å |
| α | 90° |
| β | 91.956 ± 0.001° |
| γ | 90° |
| Cell volume | 2456.9 ± 0.4 Å3 |
| Cell temperature | 188 ± 1 K |
| Ambient diffraction temperature | 188 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0281 |
| Residual factor for significantly intense reflections | 0.0249 |
| Weighted residual factors for significantly intense reflections | 0.0646 |
| Weighted residual factors for all reflections included in the refinement | 0.0669 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181915 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/14. |
2241415.cif 2241415.hkl |
| 171507 | 2015-12-14 | cif/ hkl/ Adding structures of 2241415 via cif-deposit CGI script. |
2241415.cif 2241415.hkl |
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.