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Information card for entry 2021125
Preview
| Coordinates | 2021125.cif |
|---|---|
| Structure factors | 2021125.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diaquapentakis[bis(2,6-diisopropylphenyl) phosphato]-μ-hydroxido-dilanthanum hexane disolvate |
|---|---|
| Formula | C132 H203 La2 O23 P5 |
| Calculated formula | C132 H203 La2 O23 P5 |
| SMILES | [La]123([OH][La]4([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)([O]=P(O4)(Oc2c(cccc2C(C)C)C(C)C)Oc2c(cccc2C(C)C)C(C)C)OP(=O)(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.CCCCCC.CCCCCC |
| 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 | 27.4921 ± 0.0013 Å |
| b | 16.9467 ± 0.0008 Å |
| c | 30.909 ± 0.0015 Å |
| α | 90° |
| β | 106.801 ± 0.001° |
| γ | 90° |
| Cell volume | 13785.8 ± 1.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0832 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.132 |
| Weighted residual factors for all reflections included in the refinement | 0.1509 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| 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. |
2021125.cif 2021125.hkl |
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