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Information card for entry 2000099
Preview
| Coordinates | 2000099.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C94.5 H96.5 B2 N6.5 Ni2 O7 S2 |
|---|---|
| Calculated formula | C97 H82 B2 N6.5 Ni2 O4.5 S2 |
| Title of publication | Paramagnetic NMR Investigations of High-Spin Nickel(II) Complexes. Controlled Synthesis, Structural, Electronic, and Magnetic Properties of Dinuclear vs Mononuclear Species |
| Authors of publication | Catherine Belle; Catherine Bougault; Marie-Thérèse Averbuch; André Durif; Jean-Louis Pierre; Jean-Marc Latour; Laurent Le Pape |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2001 |
| Journal volume | 123 |
| Journal issue | 33 |
| Pages of publication | 8053 - 8066 |
| a | 18.128 ± 0.007 Å |
| b | 20.224 ± 0.007 Å |
| c | 26.221 ± 0.009 Å |
| α | 101.3 ± 0.02° |
| β | 104.07 ± 0.02° |
| γ | 102.37 ± 0.02° |
| Cell volume | 8790.67 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0576 |
| Weighted residual factors for significantly intense reflections | 0.0576 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277836 (current) | 2022-09-14 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
2000099.cif |
| 277835 | 2022-09-14 | 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. |
2000099.cif |
| 76876 | 2013-03-21 | cif/2/00/ (saulius@koala.ibt.lt) Fixing bibliographies and DOIs in 2000098.cif and 2000099.cif. |
2000099.cif |
| 69511 | 2012-12-19 | Some minor fixes in several CIFS and adding a few Fobs |
2000099.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2000099.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. |
2000099.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/' |
2000099.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
2000099.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. |
2000099.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) |
2000099.cif |
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Users of the data should acknowledge the original authors of the
structural data.