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Information card for entry 4083341
Preview
| Coordinates | 4083341.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H84 K N4 O8 Ti |
|---|---|
| Calculated formula | C56 H84 K N4 O8 Ti |
| SMILES | [Ti]123456789(N(=O)=NC(=C2c2ccccc2)c2ccccc2)([c]2([c]1([c]3([c]6([c]72C)C)C)C)C)[c]1([c]4([c]8([c]5(C)[c]91C)C)C)C.[K]1234567[O]8CC[O]4CC[N]47CC[O]6CC[O]1CC[N]5(CC8)CC[O]2CC[O]3CC4.C1COCC1 |
| Title of publication | Functionalization of Complexed N2O in Bis(pentamethylcyclopentadienyl) Systems of Zirconium and Titanium. |
| Authors of publication | Mindiola, Daniel J.; Watson, Lori A.; Meyer, Karsten; Hillhouse, Gregory L. |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 11 |
| Pages of publication | 2760 - 2769 |
| a | 13.0606 ± 0.0012 Å |
| b | 13.7599 ± 0.0013 Å |
| c | 15.8547 ± 0.0015 Å |
| α | 97.746 ± 0.002° |
| β | 104.352 ± 0.002° |
| γ | 91.05 ± 0.003° |
| Cell volume | 2731.2 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0877 |
| Residual factor for significantly intense reflections | 0.0726 |
| Weighted residual factors for significantly intense reflections | 0.1776 |
| Weighted residual factors for all reflections included in the refinement | 0.1842 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178722 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/33. |
4083341.cif |
| 119261 | 2014-07-05 | cif/ Updating files of 4083340, 4083341, 4083342 Original log message: Adding full bibliography for 4083340--4083342.cif. |
4083341.cif |
| 114313 | 2014-05-23 | cif/ Adding structures of 4083340, 4083341, 4083342 via cif-deposit CGI script. |
4083341.cif |
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Users of the data should acknowledge the original authors of the
structural data.