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Information card for entry 4060951
Preview
| Coordinates | 4060951.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H34 Cl2 O2 Ti |
|---|---|
| Calculated formula | C23 H34 Cl2 O2 Ti |
| SMILES | [Ti]1234(Cl)(Cl)(Oc5c(C(C)(C)C)cc(C)cc5C(C)(C)C)[c]5([cH]4[cH]3[cH]2[cH]15)CCOC |
| Title of publication | New Half-Sandwich Alkyl, Aryl, Aryloxide, and Propargyloxide Titanium(IV) Complexes Containing a Cyclopentadienyl Ligand with a Pendant Ether Substituent: Behavior and Influence in the Hydroamination of Alkynes of the Ether Group |
| Authors of publication | Esteruelas, Miguel A.; López, Ana M.; Mateo, A. Concepción; Oñate, Enrique |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 6 |
| Pages of publication | 1448 - 1460 |
| a | 20.191 ± 0.004 Å |
| b | 10.3853 ± 0.0017 Å |
| c | 11.541 ± 0.002 Å |
| α | 90° |
| β | 100.225 ± 0.003° |
| γ | 90° |
| Cell volume | 2381.6 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 |
| Duplicate of | 4074943 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209806 (current) | 2018-08-16 | cif/4/ Updating bibliography in entries 4060948-4060951, 4074940-4074943. Marking entries 4060948-4060951 as duplicates of entries 4074940-4074943. |
4060951.cif |
| 178498 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/09. |
4060951.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4060951.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. |
4060951.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
4060951.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
4060951.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4060951.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
4060951.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
4060951.cif |
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Users of the data should acknowledge the original authors of the
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