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Information card for entry 7000219
Preview
| Coordinates | 7000219.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H24 Mn N8 S2 |
|---|---|
| Calculated formula | C20 H24 Mn N8 S2 |
| SMILES | [Mn]123([n]4ccccc4[C@H]4NCC[N]14CC[N]12CCN[C@@H]1c1cccc[n]31)(N=C=S)N=C=S.[Mn]123([n]4ccccc4[C@@H]4NCC[N]14CC[N]12CCN[C@H]1c1cccc[n]31)(N=C=S)N=C=S |
| Title of publication | Selective complexation of 3d metal(ii) ions with multidentate and chiral isomers derived from condensation of 2-pyridinecarboxaldehyde with triethylenetetramine |
| Authors of publication | Lee, Yong-Min; Kim, Eun-Sook; Kim, Hee-Jin; Choi, Hee Jung; Kim, Young-Inn; Kang, Sung Kwon; Choi, Sung-Nak |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 1 |
| Pages of publication | 126 - 133 |
| a | 15.4649 ± 0.0008 Å |
| b | 17.7127 ± 0.001 Å |
| c | 16.6848 ± 0.001 Å |
| α | 90° |
| β | 90.373 ± 0.001° |
| γ | 90° |
| Cell volume | 4570.3 ± 0.4 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1545 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.1141 |
| Weighted residual factors for all reflections included in the refinement | 0.1506 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179680 (current) | 2016-03-24 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/02. |
7000219.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7000219.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7000219.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7000219.cif |
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