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Information card for entry 4081072
Preview
| Coordinates | 4081072.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H51 N6 Nd |
|---|---|
| Calculated formula | C42 H51 N6 Nd |
| SMILES | c1(ccc(C)n1CCN(c1ccccc1)[Nd](N(c1ccccc1)CCn1c(C)ccc1C)N(CCn1c(ccc1C)C)c1ccccc1)C |
| Title of publication | Novel Lanthanide Amides Incorporating Neutral Pyrrole Ligand in a Constrained Geometry Architecture: Synthesis, Characterization, Reaction, and Catalytic Activity |
| Authors of publication | Wang, Fenhua; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Miao, Hui; Gu, Xiaoxia; Wei, Yun; Yuan, Qingbing |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 14 |
| Pages of publication | 3920 |
| a | 10.4579 ± 0.0018 Å |
| b | 11.2161 ± 0.0019 Å |
| c | 17.663 ± 0.003 Å |
| α | 79.498 ± 0.002° |
| β | 89.236 ± 0.002° |
| γ | 67.474 ± 0.002° |
| Cell volume | 1878 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0733 |
| Residual factor for significantly intense reflections | 0.0561 |
| Weighted residual factors for significantly intense reflections | 0.1471 |
| Weighted residual factors for all reflections included in the refinement | 0.1617 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4081072.cif |
| 178699 | 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 4/08/10. |
4081072.cif |
| 87986 | 2013-08-27 | cif/ Adding structures of 4081069, 4081070, 4081071, 4081072, 4081073, 4081074, 4081075 via cif-deposit CGI script. |
4081072.cif |
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Users of the data should acknowledge the original authors of the
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