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Information card for entry 4064905
Preview
| Coordinates | 4064905.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H44 N2 Si Zr |
|---|---|
| Calculated formula | C44 H44 N2 Si Zr |
| SMILES | [Zr]123456789(N=C=C(c%10ccccc%10)c%10ccccc%10)([NH]=C(C(=C9[Si](C)(C)C)C)C(c9ccccc9)c9ccccc9)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[cH]51 |
| Title of publication | Formation of Zirconocenes Containing Vinyl-imine and Keteniminate Species from Zirconacycles and Diphenylacetonitrile |
| Authors of publication | Zhao, Jing; Zhang, Shaoguang; Zhang, Wen-Xiong; Xi, Zhenfeng |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 13 |
| Pages of publication | 3464 |
| a | 13.56 ± 0.004 Å |
| b | 18.179 ± 0.005 Å |
| c | 17.708 ± 0.005 Å |
| α | 90° |
| β | 122.93 ± 0.004° |
| γ | 90° |
| Cell volume | 3663.8 ± 1.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0879 |
| Residual factor for significantly intense reflections | 0.0754 |
| Weighted residual factors for significantly intense reflections | 0.144 |
| Weighted residual factors for all reflections included in the refinement | 0.1511 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.183 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178543 (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 4/06/49. |
4064905.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064905.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064905.cif |
| 33087 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064905 via cif-deposit CGI script. |
4064905.cif |
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Users of the data should acknowledge the original authors of the
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