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Information card for entry 4062454
Preview
| Coordinates | 4062454.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [{Ti(NtBu)(C7H12N3)2}2] |
|---|---|
| Formula | C36 H66 N14 Ti2 |
| Calculated formula | C36 H66 N14 Ti2 |
| SMILES | CC(C)(C)N=[Ti]12([N]3CCCN4C=3N([Ti]3(=NC(C)(C)C)([N]5=C6N(CCC5)CCCN36)[N]3=C5N(CCC3)CCCN25)CCC4)[N]2=C3N(CCC2)CCCN13 |
| Title of publication | Exploration of the Suitability of Bicyclic Guanidinates as Ligands in Catalytic Chemistry Mediated by Titanium |
| Authors of publication | Coles, Martyn P.; Hitchcock, Peter B. |
| Journal of publication | Organometallics |
| Year of publication | 2003 |
| Journal volume | 22 |
| Journal issue | 25 |
| Pages of publication | 5201 - 5211 |
| a | 10.716 ± 0.0003 Å |
| b | 15.3055 ± 0.0004 Å |
| c | 24.9766 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4096.51 ± 0.18 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295430 (current) | 2024-10-11 | Updated bibliographic information in entries 4062450-4062454. |
4062454.cif |
| 277847 | 2022-09-15 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
4062454.cif |
| 277846 | 2022-09-15 | cif/ Reordered data items using the 'cif_filter' program to ensure that future changes to the file result in a minimal number of modified lines. |
4062454.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4062454.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. |
4062454.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/' |
4062454.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4062454.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. |
4062454.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) |
4062454.cif |
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Users of the data should acknowledge the original authors of the
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