Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 7015719
7015718 << 7015719 >> 7015720Preview
|
Coordinates |
7015719.cif |
Structure parameters
| Formula | - C16 H17 Fe N5 O S2 - |
| Calculated formula | - C16 H17 Fe N5 O S2 - |
| Title of publication | Monomeric, trimeric, and tetrameric transition metal complexes (Mn, Fe, Co) containing N,N-bis(2-pyridylmethyl)-2-aminoethanol/-ate: preparation, crystal structure, molecular magnetism and oxidation catalysis. |
| Authors of publication | Shin, Jong Won; Rowthu, Sankara Rao; Hyun, Min Young; Song, Young Joo; Kim, Cheal; Kim, Bong Gon; Min, Kil Sik |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 21 |
| Pages of publication | 5762 - 5773 |
| a | 8.4629 ± 0.0009 Å |
| b | 11.5128 ± 0.0012 Å |
| c | 19.611 ± 0.002 Å |
| α | 90° |
| β | 94.807 ± 0.003° |
| γ | 90° |
| Cell volume | 1904 ± 0.3 Å3 |
| Cell temperature | 195 ± 2 K |
| Ambient diffraction temperature | 195 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.1677 |
| Residual factor for observed reflections | 0.0608 |
| Weighted residual factors for the observed reflections | 0.1211 |
| Weighted residual factors for all reflections included in the refinement | 0.1705 |
| Goodness-of-fit parameter for observed reflections | 0.995 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |