Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7007473
Preview
| Coordinates | 7007473.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C36 H20 F24 O4 Ti |
|---|---|
| Calculated formula | C36 H20 F24 O4 Ti |
| SMILES | [Ti](OC(C(F)(F)F)(C(F)(F)F)c1ccccc1)(OC(C(F)(F)F)(C(F)(F)F)c1ccccc1)(OC(C(F)(F)F)(C(F)(F)F)c1ccccc1)OC(C(F)(F)F)(C(F)(F)F)c1ccccc1 |
| Title of publication | The reaction of TiF4 with Li(OC(CF3)2Ph): direct synthetic route to the lithium-titanium heterometallic fluoride bridged complex {Li(THF)2TiF3(OC(CF3)2Ph)2}2 and Ti(OC(CF3)2Ph)4 alkoxide. |
| Authors of publication | Decken, Andreas; Nikiforov, Grigori B.; Passmore, Jack |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 36 |
| Pages of publication | 4328 - 4334 |
| a | 10.6982 ± 0.0008 Å |
| b | 16.9668 ± 0.0011 Å |
| c | 21.8494 ± 0.0015 Å |
| α | 90° |
| β | 101.998 ± 0.001° |
| γ | 90° |
| Cell volume | 3879.3 ± 0.5 Å3 |
| Cell temperature | 198 ± 1 K |
| Ambient diffraction temperature | 198 ± 1 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 | 0.0485 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.088 |
| Weighted residual factors for all reflections included in the refinement | 0.0946 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| 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 |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7007473.cif |
| 211332 | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
7007473.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7007473.cif |
| 179778 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/74. |
7007473.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7007473.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7007473.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7007473.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.