Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4342273
Preview
| Coordinates | 4342273.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H72 Li2 N6 |
|---|---|
| Calculated formula | C54 H72 Li2 N6 |
| SMILES | [Li]1[N](=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[Li][N]1=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C |
| Title of publication | Contrasting reactivities of silicon and germanium complexes supported by an N-heterocyclic guanidine ligand. |
| Authors of publication | Lui, Melanie W.; Merten, Christian; Ferguson, Michael J.; McDonald, Robert; Xu, Yunjie; Rivard, Eric |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 4 |
| Pages of publication | 2040 - 2049 |
| a | 10.9982 ± 0.0002 Å |
| b | 18.7313 ± 0.0002 Å |
| c | 12.0421 ± 0.0002 Å |
| α | 90° |
| β | 94.2202 ± 0.0006° |
| γ | 90° |
| Cell volume | 2474.07 ± 0.07 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0436 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.1073 |
| Weighted residual factors for all reflections included in the refinement | 0.1103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179525 (current) | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/22. |
4342273.cif |
| 132827 | 2015-03-04 | cif/ Updating files of 4342273, 4342274, 4342275, 4342276, 4342277, 4342278, 4342279, 4342280, 4342281 Original log message: Adding full bibliography for 4342273--4342281.cif. |
4342273.cif |
| 130496 | 2015-02-04 | cif/ Adding structures of 4342273, 4342274, 4342275, 4342276, 4342277, 4342278, 4342279, 4342280, 4342281 via cif-deposit CGI script. |
4342273.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.