Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2021126
Preview
| Coordinates | 2021126.cif |
|---|---|
| Structure factors | 2021126.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetraaquatetrakis[bis(2,6-diisopropylphenyl) phosphato]-μ-hydroxido-dineodymium bis(2,6-diisopropylphenyl) phosphate heptane disolvate |
|---|---|
| Formula | C134 H211 Nd2 O25 P5 |
| Calculated formula | C134 H211 Nd2 O25 P5 |
| SMILES | [Nd]123([OH][Nd]4([OH2])([OH2])([O]=P(O2)(Oc2c(cccc2C(C)C)C(C)C)Oc2c(cccc2C(C)C)C(C)C)(OP(=[O]3)(Oc2c(cccc2C(C)C)C(C)C)Oc2c(cccc2C(C)C)C(C)C)OP(=[O]4)(Oc2c(cccc2C(C)C)C(C)C)Oc2c(cccc2C(C)C)C(C)C)([OH2])([OH2])[O]=P(O1)(Oc1c(cccc1C(C)C)C(C)C)Oc1c(cccc1C(C)C)C(C)C.P(=O)([O-])(Oc1c(cccc1C(C)C)C(C)C)Oc1c(cccc1C(C)C)C(C)C.CCCCCCC.CCCCCCC |
| Title of publication | Dinuclear neodymium and lanthanum bis(2,6-diisopropylphenyl) phosphate complexes bearing a hydroxide ligand: catalytic activity of the Nd complex in 1,3-diene polymerization |
| Authors of publication | Minyaev, Mikhail E.; Korchagina, Sof'ya A.; Tavtorkin, Alexander N.; Churakov, Andrei V.; Nifant'ev, Ilya E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 6 |
| a | 15.094 ± 0.007 Å |
| b | 17.491 ± 0.008 Å |
| c | 27.444 ± 0.013 Å |
| α | 102.142 ± 0.007° |
| β | 95.211 ± 0.007° |
| γ | 90.412 ± 0.007° |
| Cell volume | 7052 ± 6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.048 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0944 |
| Weighted residual factors for all reflections included in the refinement | 0.1015 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 207690 (current) | 2018-05-08 | cif/ hkl/ Adding structures of 2021125, 2021126 via cif-deposit CGI script. |
2021126.cif 2021126.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.