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Information card for entry 4060575
Preview
| Coordinates | 4060575.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | ? |
|---|---|
| Calculated formula | C48 H40 As8 Cl8 F48 N8 Ti4 |
| Title of publication | Facile Synthesis and Structural Characterization of [Cp2Ti(IV)(NCX)2][AsF6]2 Complexes with Halogen Cyanides (X = Cl, Br, I) |
| Authors of publication | Margret-Jane Crawford; Peter Mayer; Heinrich Nöth; Max Suter |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Pages of publication | 128 - 132 |
| a | 18.1491 ± 0.0003 Å |
| b | 8.1751 ± 0.0001 Å |
| c | 14.3414 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2127.84 ± 0.05 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 130149 (current) | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
4060575.cif |
| 120119 | 2014-07-12 | Adding DOIs for range 4/06 structures | 4060575.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4060575.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
4060575.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. |
4060575.cif |
| 325 | 2008-04-01 | 5 CIFs more checked and fixed. Several in multiple-bibliography-bad.txt were previously fixed and have been removed from this file. |
4060575.cif |
| 297 | 2008-03-20 | 25 CIFs fixed. Three of them contained two structures. First one kept and second copied at /home/miguel. Other structure contained duplicated crystal data. See data-problems.txt for more information about these problems. COD is vcif clean now ???????!!!!!!!! |
4060575.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/' |
4060575.cif |
| 14 | 2008-01-13 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4060575.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. |
4060575.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) |
4060575.cif |
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Users of the data should acknowledge the original authors of the
structural data.