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Information card for entry 4080220
Preview
| Coordinates | 4080220.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C100 H98 Nd2 O20 |
|---|---|
| Calculated formula | C100 H98 Nd2 O20 |
| Title of publication | Di- and Triphenylacetates of Lanthanum and Neodymium. Synthesis, Structural Diversity, and Application in Diene Polymerization |
| Authors of publication | Roitershtein, Dmitrii M.; Vinogradov, Alexander A.; Vinogradov, Alexei A.; Lyssenko, Konstantin A.; Nelyubina, Yulia V.; Anan’ev, Ivan V.; Nifant’ev, Ilya E.; Yakovlev, Vladimir A.; Kostitsyna, Natalya N. |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 5 |
| Pages of publication | 1272 |
| a | 13.0275 ± 0.0002 Å |
| b | 13.0747 ± 0.0002 Å |
| c | 14.7602 ± 0.0002 Å |
| α | 113.058 ± 0.0006° |
| β | 95.0251 ± 0.0007° |
| γ | 106.034 ± 0.0007° |
| Cell volume | 2168.09 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0311 |
| Residual factor for significantly intense reflections | 0.0258 |
| Weighted residual factors for significantly intense reflections | 0.063 |
| Weighted residual factors for all reflections included in the refinement | 0.0677 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4080220.cif |
| 178691 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/02. |
4080220.cif |
| 85878 | 2013-05-07 | cif/ Adding structures of 4080218, 4080219, 4080220, 4080221, 4080222, 4080223, 4080224, 4080225, 4080226, 4080227, 4080228, 4080229, 4080230, 4080231 via cif-deposit CGI script. |
4080220.cif |
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Users of the data should acknowledge the original authors of the
structural data.