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Information card for entry 4306997
Preview
| Coordinates | 4306997.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H32 Cu N8 Ni O2 |
|---|---|
| Calculated formula | C16 H28 Cu N8 Ni O2 |
| SMILES | [Cu]12([N]#C[Ni](C#N)(C#N)C#N)([NH2][C@@H]3CCCC[C@H]3[NH2]1)[NH2][C@@H]1CCCC[C@H]1[NH2]2.O.O |
| Title of publication | Synthesis of Zirconium, Hafnium, and Tantalum Complexes with Sterically Demanding Hydrazide Ligands |
| Authors of publication | Jean-Sébastien M. Lehn; Saba Javed; David M. Hoffman |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Pages of publication | 993 - 1000 |
| a | 9.864 ± 0.004 Å |
| b | 15.393 ± 0.008 Å |
| c | 7.995 ± 0.004 Å |
| α | 90° |
| β | 110.32 ± 0.03° |
| γ | 90° |
| Cell volume | 1138.4 ± 1 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0588 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.1049 |
| Weighted residual factors for all reflections included in the refinement | 0.1214 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.885 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179107 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/69. |
4306997.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
4306997.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4306997.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4306997.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4306997.cif |
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