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Information card for entry 4069525
Preview
| Coordinates | 4069525.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H44 Er N6 O P S |
|---|---|
| Calculated formula | C36 H44 Er N6 O P S |
| SMILES | [Er]123456789([S]=C(NN=C(c%10ccccc%10)c%10ccccc%10)N1c1ccccc1)([O]=P(N(C)C)(N(C)C)N(C)C)([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]9[cH]8[cH]7[cH]61 |
| Title of publication | Investigations on Organolanthanide Derivatives with the Hydrazonido (−NHN═CPh2) Ligand: Synthesis, Crystal Structure, and Reactivity |
| Authors of publication | Han, Yanan; Zhang, Jie; Han, Fuyan; Zhang, Zhengxing; Weng, Linhong; Zhou, Xigeng |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 13 |
| Pages of publication | 3916 |
| a | 11.075 ± 0.003 Å |
| b | 13.34 ± 0.004 Å |
| c | 14.742 ± 0.004 Å |
| α | 102.472 ± 0.004° |
| β | 107.949 ± 0.004° |
| γ | 110.174 ± 0.004° |
| Cell volume | 1813.8 ± 0.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1264 |
| Residual factor for significantly intense reflections | 0.0615 |
| Weighted residual factors for significantly intense reflections | 0.116 |
| Weighted residual factors for all reflections included in the refinement | 0.1446 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178584 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/95. |
4069525.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069525.cif |
| 40317 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069520, 4069521, 4069522, 4069523, 4069524, 4069525, 4069526, 4069527 via cif-deposit CGI script. |
4069525.cif |
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Users of the data should acknowledge the original authors of the
structural data.