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Information card for entry 4324906
Preview
| Coordinates | 4324906.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H81 Cl N3 O3 Yb |
|---|---|
| Calculated formula | C54 H81 Cl N3 O3 Yb |
| SMILES | [Yb]1(Oc2c(cc(cc2C(C)(C)C)C)C(C)(C)C)(Oc2c(cc(cc2C(C)(C)C)C)C(C)(C)C)([O]2CCCC2)[N](c2ccc(Cl)cc2)=C(N1C(C)C)NC(C)C.c1(ccccc1)C |
| Title of publication | Activation of Carbodiimide and Transformation with Amine to Guanidinate Group by Ln(OAr)3(THF)2 (Ln: Lanthanide and Yttrium) and Ln(OAr)3(THF)2 as a Novel Precatalyst for Addition of Amines to Carbodiimides: Influence of Aryloxide Group |
| Authors of publication | Yang Cao; Zhu Du; Wenbo Li; Junmei Li; Yong Zhang; Fan Xu; Qi Shen |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 3729 - 3737 |
| a | 9.8319 ± 0.0005 Å |
| b | 11.2382 ± 0.0006 Å |
| c | 24.3593 ± 0.0015 Å |
| α | 83.37 ± 0.004° |
| β | 80.871 ± 0.004° |
| γ | 76.612 ± 0.004° |
| Cell volume | 2576.5 ± 0.3 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0427 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0781 |
| Weighted residual factors for all reflections included in the refinement | 0.0807 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179352 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/49. |
4324906.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324906.cif |
| 43357 | 2012-03-14 | ../uploads/cif-deposit/cod/cif Adding structures of 4324906 via cif-deposit CGI script. |
4324906.cif |
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Users of the data should acknowledge the original authors of the
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