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Information card for entry 7010542
Preview
| Coordinates | 7010542.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [NiCl~2~(IM2py)~2~] |
|---|---|
| Chemical name | Dichlorobis(2-(2-pyridyl)-4,4,5,5-tetramethylimidazpline-1-oxy)nickel(II) |
| Formula | C24 H32 Cl2 N6 Ni O2 |
| Calculated formula | C24 H32 Cl2 N6 Ni O2 |
| SMILES | O=[N]1C2c3cccc[n]3[Ni]3(Cl)([N]=2C(C1(C)C)(C)C)(Cl)[N]1=C(c2cccc[n]32)[N](=O)C(C1(C)C)(C)C |
| Title of publication | Crystal structures, magnetic and spectroscopic properties of manganese(II), cobalt(II), nickel(II) and zinc(II) dichloro complexes bearing two 2-pyridyl-substituted imino nitroxides † |
| Authors of publication | Yamamoto, Youhei; Suzuki, Takayoshi; Kaizaki, Sumio |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2001 |
| Journal issue | 10 |
| Pages of publication | 1566 |
| a | 18.6043 ± 0.0012 Å |
| b | 8.9489 ± 0.0006 Å |
| c | 15.9286 ± 0.0013 Å |
| α | 90° |
| β | 102.633 ± 0.003° |
| γ | 90° |
| Cell volume | 2587.7 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0427 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0858 |
| Weighted residual factors for all reflections included in the refinement | 0.0884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179809 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/05. |
7010542.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010542.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010542.cif |
| 11752 | 2011-02-18 | cif/7/ Redepositing RSC CIFs that were formally processed with an old version of cif_fix_values script. |
7010542.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010542.cif |
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