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Information card for entry 7104078
Preview
| Coordinates | 7104078.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C77 H90 Cl2 O6 Ti2 |
|---|---|
| Calculated formula | C77 H89.5 Cl2 O6 Ti2 |
| Title of publication | Selective synthesis of conformationally restricted mono-cyclopentadienyl titanium(IV) complexes of p-tBu-calix[6]arene |
| Authors of publication | Robert Norman Lamb; Donald C. Craig; Antonella J. Petrella; Colin L. Raston; Nicholas K. Roberts |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2003 |
| a | 13.034 ± 0.001 Å |
| b | 16.744 ± 0.002 Å |
| c | 19.276 ± 0.002 Å |
| α | 66.479 ± 0.004° |
| β | 86.395 ± 0.005° |
| γ | 68.356 ± 0.005° |
| Cell volume | 3568 ± 2 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.087 |
| Weighted residual factors for all reflections included in the refinement | 0.132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.91 |
| 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. |
7104078.cif |
| 180143 | 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 7/10/40. |
7104078.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7104078.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7104078.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. |
7104078.cif |
| 823 | 2009-09-25 | cif/ Depositing information from the Chem-Comm-2003_01-17 and J-Org-Chem-2007_13-20 publications. |
7104078.cif |
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