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Information card for entry 7022806
Preview
| Coordinates | 7022806.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C55 H85 Cl N7 O2 Si2 Yb |
|---|---|
| Calculated formula | C55 H85 Cl N7 O2 Si2 Yb |
| SMILES | [Yb]123(Oc4c(cc(cc4C(C)(C)C)C)C(C)(C)C)(N([Si](C)(C)C)C(=[N]1CCC[N]2=C(N[Si](C)(C)C)c1ccccc1)c1ccccc1)[N](c1ccc(Cl)cc1)=C(N3C(C)C)NC(C)C.O1CCCC1 |
| Title of publication | Bridged bis(amidinate) lanthanide aryloxides: syntheses, structures, and catalytic activity for addition of amines to carbodiimides. |
| Authors of publication | Tu, Jing; Li, Wenbo; Xue, Mingqiang; Zhang, Yong; Shen, Qi |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 16 |
| Pages of publication | 5890 - 5901 |
| a | 18.079 ± 0.002 Å |
| b | 18.777 ± 0.002 Å |
| c | 18.448 ± 0.002 Å |
| α | 90° |
| β | 109.725 ± 0.003° |
| γ | 90° |
| Cell volume | 5895.1 ± 1.1 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0857 |
| Residual factor for significantly intense reflections | 0.0705 |
| Weighted residual factors for significantly intense reflections | 0.1494 |
| Weighted residual factors for all reflections included in the refinement | 0.1588 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.173 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7022806.cif |
| 179933 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/28. |
7022806.cif |
| 90351 | 2013-11-17 | cif/ Adding structures of 7022804, 7022805, 7022806, 7022807, 7022808, 7022809, 7022810, 7022811 via cif-deposit CGI script. |
7022806.cif |
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