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Information card for entry 4065888
Preview
| Coordinates | 4065888.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H55 Cl2 N4 Nb |
|---|---|
| Calculated formula | C38 H55 Cl2 N4 Nb |
| SMILES | [Nb]1(Cl)(Cl)(=NC(C)(C)C)([N](c2c(cccc2C(C)C)C(C)C)=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)[n]1ccccc1 |
| Title of publication | Halo, Alkyl, Aryl, and Bis(imido) Complexes of Niobium Supported by the beta-Diketiminato Ligand. |
| Authors of publication | Tomson, Neil C.; Arnold, John; Bergman, Robert G. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 13 |
| Pages of publication | 2926 - 2942 |
| a | 8.8653 ± 0.0008 Å |
| b | 17.9863 ± 0.0017 Å |
| c | 24.392 ± 0.002 Å |
| α | 90° |
| β | 99.792 ± 0.001° |
| γ | 90° |
| Cell volume | 3832.7 ± 0.6 Å3 |
| Cell temperature | 136 ± 2 K |
| Ambient diffraction temperature | 136 ± 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 | 0.0531 |
| Residual factor for significantly intense reflections | 0.0367 |
| Weighted residual factors for significantly intense reflections | 0.0872 |
| Weighted residual factors for all reflections included in the refinement | 0.0932 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.206 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178551 (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 4/06/58. |
4065888.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065888.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065888.cif |
| 33719 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4065888, 4065889, 4065890, 4065891, 4065892 via cif-deposit CGI script. |
4065888.cif |
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Users of the data should acknowledge the original authors of the
structural data.