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Information card for entry 7103734
Preview
| Coordinates | 7103734.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H70 F3 N3 O3 S Ti |
|---|---|
| Calculated formula | C47 H66.5 F3 N3 O3 S Ti |
| Title of publication | Snapshots of an oxidatively induced alpha-hydrogen abstraction reaction to prepare a terminal and four-coordinate titanium imide |
| Authors of publication | Daniel Mindiola; Falguni Basuli; John C. Huffman |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2003 |
| a | 10.271 ± 0.0014 Å |
| b | 12.9651 ± 0.0017 Å |
| c | 18.451 ± 0.003 Å |
| α | 93.783 ± 0.007° |
| β | 106.097 ± 0.009° |
| γ | 96.88 ± 0.009° |
| Cell volume | 2330.9 ± 0.6 Å3 |
| Cell temperature | 138 ± 2 K |
| Ambient diffraction temperature | 138 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0733 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.0861 |
| Weighted residual factors for all reflections included in the refinement | 0.0978 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.933 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7103734.cif |
| 180140 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/37. |
7103734.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7103734.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7103734.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7103734.cif |
| 823 | 2009-09-25 | cif/ Depositing information from the Chem-Comm-2003_01-17 and J-Org-Chem-2007_13-20 publications. |
7103734.cif |
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