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Information card for entry 4300016
Preview
| Coordinates | 4300016.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H19 Br2 Cu N3 |
|---|---|
| Calculated formula | C19 H19 Br2 Cu N3 |
| Title of publication | A Cu(II)-Mediated C-H Oxygenation of Sterically Hindered Tripyridine Ligands To Form Triangular Cu(II)3 Complexes |
| Authors of publication | Masahito Kodera; Yoshimitsu Tachi; Toshio Kita; Hiromu Kobushi; Yoshinori Sumi; Koji Kano; Motoo Shiro; Masayuki Koikawa; Tadashi Tokii; Masaaki Ohba; Hisashi Okawa |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2000 |
| Journal volume | 39 |
| Pages of publication | 226 - 234 |
| a | 8.515 ± 0.003 Å |
| b | 14.598 ± 0.005 Å |
| c | 8.252 ± 0.003 Å |
| α | 94.83 ± 0.03° |
| β | 107.65 ± 0.03° |
| γ | 96.89 ± 0.03° |
| Cell volume | 962.5 ± 0.6 Å3 |
| Cell temperature | 293.2 K |
| Ambient diffraction temperature | 293.2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0 |
| Residual factor for significantly intense reflections | 0 |
| Weighted residual factors for significantly intense reflections | 0 |
| Weighted residual factors for all reflections included in the refinement | 0.0488 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4300016.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4300016.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4300016.cif |
| 19539 | 2011-05-18 | cif/4 Updating some structures with data taken from Inorg. Chem. 2000. SQL tables also updated. |
4300016.cif |
| 1115 | 2010-04-19 | cif/4/ Change tags: -_reflns_observed_expression >2.0sigma(I) +_reflns_threshold_expression >2.0sigma(I) |
4300016.cif |
| 1096 | 2010-04-15 | /cif Fixed tag "_atom_site_calc_flags" to "_atom_site_calc_flag" |
4300016.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. |
4300016.cif |
| 131 | 2008-02-21 | 20 files corrected. |
4300016.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/' |
4300016.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4300016.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. |
4300016.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) |
4300016.cif |
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Users of the data should acknowledge the original authors of the
structural data.