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Information card for entry 7012319
Preview
| Coordinates | 7012319.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | cyclo-tetrakis((mu-oxo)-dichloro-(1,4,7,10,13-pentaoxacyclopentadecane)- titanium(IV)) toluene solvate hydrate |
|---|---|
| Formula | C68 H116 Cl8 O26 Ti4 |
| Calculated formula | C68 H80 Cl8 O26 Ti4 |
| Title of publication | Crown ether complexes of titanium(iv) chloride and bromide and the structures of the hydrolysis products [Ti2Cl6(µ-O)(18-crown-6)2] and [Ti4Cl8(µ-O)4(15-crown-5)4] |
| Authors of publication | Levason, William; Popham, Michael C.; Reid, Gillian; Webster, Michael |
| Journal of publication | Dalton Transactions |
| Year of publication | 2003 |
| Journal issue | 3 |
| Pages of publication | 291 |
| a | 20.353 ± 0.003 Å |
| b | 20.353 ± 0.003 Å |
| c | 10.739 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4448.6 ± 1.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 85 |
| Hermann-Mauguin space group symbol | P 4/n :2 |
| Hall space group symbol | -P 4a |
| Residual factor for all reflections | 0.1935 |
| Residual factor for significantly intense reflections | 0.0733 |
| Weighted residual factors for significantly intense reflections | 0.1671 |
| Weighted residual factors for all reflections included in the refinement | 0.218 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.91 |
| 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. |
7012319.cif |
| 179827 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/23. |
7012319.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7012319.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7012319.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7012319.cif |
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