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Information card for entry 4066281
Preview
| Coordinates | 4066281.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C59 H92 N6 O3 Zr |
|---|---|
| Calculated formula | C59 H92 N6 O3 Zr |
| SMILES | [Zr]123(OC(=[N]2c2c(cccc2C(C)C)C(C)C)N2CCCCC2)(OC(N2CCCCC2)=[N]3c2c(C(C)C)cccc2C(C)C)(OC(=[N]1c1c(cccc1C(C)C)C(C)C)N1CCCCC1)CC(C)(C)C |
| Title of publication | Zirconium Alkyl Complexes Supported by Ureate Ligands: Synthesis, Characterization, and Precursors to Metal−Element Multiple Bonds† |
| Authors of publication | Leitch, David C.; Schafer, Laurel L. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 21 |
| Pages of publication | 5162 |
| a | 24.5106 ± 0.0009 Å |
| b | 24.5106 ± 0.0009 Å |
| c | 18.9897 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 9880 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 173 |
| Hermann-Mauguin space group symbol | P 63 |
| Hall space group symbol | P 6c |
| Residual factor for all reflections | 0.0424 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0764 |
| Weighted residual factors for all reflections included in the refinement | 0.0792 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.973 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178554 (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 4/06/62. |
4066281.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066281.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066281.cif |
| 33847 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066279, 4066280, 4066281, 4066282, 4066283, 4066284, 4066285 via cif-deposit CGI script. |
4066281.cif |
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Users of the data should acknowledge the original authors of the
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