Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7052540
Preview
| Coordinates | 7052540.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H62 B2 Li N2 Nd O4 |
|---|---|
| Calculated formula | C38 H62 B2 Li N2 Nd O4 |
| SMILES | [Nd]123456([n]7ccccc7C[N]1(Cc1cc(C)cc(C(C)(C)C)c1O2)Cc1cc(C)cc(C(C)(C)C)c1[O]3[Li]1([H]6[BH2][H]1)([O]1CCCC1)[O]1CCCC1)[H][BH]([H]4)[H]5 |
| Title of publication | Neodymium borohydride complexes supported by diamino-bis(phenoxide) ligands: diversity of synthetic and structural chemistry, and catalytic activity in ring-opening polymerization of cyclic esters |
| Authors of publication | Sinenkov, Mikhail A.; Fukin, Georgy K.; Cherkasov, Anton V.; Ajellal, Noureddine; Roisnel, Thierry; Kerton, Francesca M.; Carpentier, Jean-François; Trifonov, Alexander A. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 1 |
| Pages of publication | 204 |
| a | 9.744 ± 0.005 Å |
| b | 14.106 ± 0.005 Å |
| c | 15.815 ± 0.005 Å |
| α | 73.379 ± 0.005° |
| β | 80.941 ± 0.005° |
| γ | 85.697 ± 0.005° |
| Cell volume | 2055.9 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0334 |
| Residual factor for significantly intense reflections | 0.0283 |
| Weighted residual factors for significantly intense reflections | 0.067 |
| Weighted residual factors for all reflections included in the refinement | 0.0708 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180079 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/25. |
7052540.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052540.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052540.cif |
| 14946 | 2011-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7052538, 7052539, 7052540 via cif-deposit CGI script. |
7052540.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.