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Information card for entry 4065727
Preview
| Coordinates | 4065727.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C106 H108 Al0 B Cl5 F20 Gd3 N6 |
|---|---|
| Calculated formula | C106 H108 B Cl5 F20 Gd3 N6 |
| SMILES | [B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.CC1=CC(C)=[N](c2c(cccc2CC)CC)[Gd]234([Cl][Gd]567(N(C(=CC(=[N]7c7c(cccc7CC)CC)C)C)c7c(cccc7CC)CC)[Cl][Gd]7([Cl]2)([Cl]35)([Cl]46)[N](=C(C)C=C(C)N7c2c(cccc2CC)CC)c2c(cccc2CC)CC)N1c1c(cccc1CC)CC.c1(ccccc1)C |
| Title of publication | β-Diketiminato Rare-Earth Metal Complexes. Structures, Catalysis, and Active Species for Highlycis-1,4-Selective Polymerization of Isoprene |
| Authors of publication | Li, Danfeng; Li, Shihui; Cui, Dongmei; Zhang, Xuequan |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 9 |
| Pages of publication | 2186 |
| a | 14.875 ± 0.004 Å |
| b | 15.109 ± 0.004 Å |
| c | 24.265 ± 0.007 Å |
| α | 90.985 ± 0.005° |
| β | 98.54 ± 0.004° |
| γ | 92.317 ± 0.005° |
| Cell volume | 5387 ± 3 Å3 |
| Cell temperature | 186.5 ± 0.2 K |
| Ambient diffraction temperature | 186.5 ± 0.2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2761 |
| Residual factor for significantly intense reflections | 0.1425 |
| Weighted residual factors for significantly intense reflections | 0.2662 |
| Weighted residual factors for all reflections included in the refinement | 0.3219 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178550 (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 4/06/57. |
4065727.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065727.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065727.cif |
| 33668 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4065721, 4065722, 4065723, 4065724, 4065725, 4065726, 4065727, 4065728 via cif-deposit CGI script. |
4065727.cif |
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Users of the data should acknowledge the original authors of the
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