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Information card for entry 4082098
Preview
| Coordinates | 4082098.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C67 H81 N6 O3 Y |
|---|---|
| Calculated formula | C67 H81 N6 O3 Y |
| SMILES | [Y]123([N](=C(N1c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C)(N(C(=[O]2)Cc1c(N(C)C)cccc1)c1ccccc1)(N(C(=[O]3)Cc1c(N(C)C)cccc1)c1ccccc1)[O]1CCCC1 |
| Title of publication | Synthesis, Structural Characterization, and Reactivity of Mono(amidinate) Rare-Earth-Metal Bis(aminobenzyl) Complexes |
| Authors of publication | Hong, Jianquan; Zhang, Lixin; Wang, Kai; Chen, Zhenxia; Wu, Limin; Zhou, Xigeng |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 24 |
| Pages of publication | 7312 |
| a | 15.809 ± 0.006 Å |
| b | 18.126 ± 0.007 Å |
| c | 21.266 ± 0.008 Å |
| α | 90° |
| β | 94.674 ± 0.005° |
| γ | 90° |
| Cell volume | 6074 ± 4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0929 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.0716 |
| Weighted residual factors for all reflections included in the refinement | 0.0799 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| 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. |
4082098.cif |
| 178709 | 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 4/08/20. |
4082098.cif |
| 92163 | 2014-01-12 | cif/ Adding structures of 4082087, 4082088, 4082089, 4082090, 4082091, 4082092, 4082093, 4082094, 4082095, 4082096, 4082097, 4082098, 4082099, 4082100, 4082101 via cif-deposit CGI script. |
4082098.cif |
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Users of the data should acknowledge the original authors of the
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