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Information card for entry 4062432
Preview
| Coordinates | 4062432.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H32 B10 N2 S Ti |
|---|---|
| Calculated formula | C18 H32 B10 N2 S Ti |
| SMILES | [Ti]12345(S[C]6789[C]%10%11%12(C([c]%131[cH]5[cH]4[cH]3[cH]2%13)c1ccccc1)[BH]126[BH]34%10[BH]56%11[BH]%107%12[BH]7%119[BH]982[BH]214[BH]135[BH]6%107[BH]%11921)(N(C)C)N(C)C |
| Title of publication | A New Class of Constrained-Geometry Metallocenes: Synthesis and Crystal Structure of a Carboranyl-Thiol-Appended Half-Sandwich Titanocene and Its Conversion to Halotitanocene |
| Authors of publication | Wang, Jianhui; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S. |
| Journal of publication | Organometallics |
| Year of publication | 2003 |
| Journal volume | 22 |
| Journal issue | 24 |
| Pages of publication | 4839 - 4841 |
| a | 10.446 ± 0.002 Å |
| b | 11.849 ± 0.002 Å |
| c | 12.28 ± 0.002 Å |
| α | 114.864 ± 0.003° |
| β | 111.23 ± 0.003° |
| γ | 91.97 ± 0.004° |
| Cell volume | 1253.8 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192130 (current) | 2017-02-15 | cif/4/06/24/ (antanas@echidna.ibt.lt) Updating bibliography in entry 4062432. |
4062432.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
4062432.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4062432.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. |
4062432.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/' |
4062432.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4062432.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. |
4062432.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) |
4062432.cif |
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Users of the data should acknowledge the original authors of the
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