Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7005067
Preview
| Coordinates | 7005067.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Catena-(trans-biscyano-tetra-agua-(2,4,6-tri(2-pyridyl)-1,3,5- triazine)-tetracyano-iron(iii)-samarium(iii) octahydrate |
|---|---|
| Formula | C24 H36 Fe N12 O12 Sm |
| Calculated formula | C24 H12 Fe N12 O12 Sm |
| Title of publication | Lanthanide-3d cyanometalate chains Ln(III)-M(III) (Ln=Pr, Nd, Sm, Eu, Gd, Tb; M=Fe) with the tridentate ligand 2,4,6-tri(2-pyridyl)-1,3,5-triazine (tptz): evidence of ferromagnetic interactions for the Sm(III)-M(III) compounds (M=Fe, Cr). |
| Authors of publication | Zhao, Hanhua; Lopez, Nazario; Prosvirin, Andrey; Chifotides, Helen T.; Dunbar, Kim R. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 8 |
| Pages of publication | 878 - 888 |
| a | 15.897 ± 0.003 Å |
| b | 14.13 ± 0.003 Å |
| c | 31.522 ± 0.006 Å |
| α | 90° |
| β | 103.19 ± 0.03° |
| γ | 90° |
| Cell volume | 6894 ± 3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0822 |
| Residual factor for significantly intense reflections | 0.0639 |
| Weighted residual factors for significantly intense reflections | 0.1571 |
| Weighted residual factors for all reflections included in the refinement | 0.1711 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179754 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/50. |
7005067.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7005067.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7005067.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7005067.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.