Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7200404
Preview
| Coordinates | 7200404.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C88 H52 Br4 Fe2 N16 P |
|---|---|
| Calculated formula | C88 H52 Br4 Fe2 N16 P |
| SMILES | [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.Br[Fe]123(n4c5=Nc6[n]3c(=Nc3c7c(c(n13)N=c1[n]2c(N=c4c2c5cccc2)c2ccccc12)cccc7)c1ccccc61)Br.c12=Nc3[n]4c(=Nc5c6c(c7n5[Fe]54(n2c(=Nc2[n]5c(=N7)c4c2cccc4)c2c1cccc2)(Br)Br)cccc6)c1ccccc31 |
| Title of publication | Variable magnetotransport properties in the TPP[Fe(Pc)L2]2 system (TPP = tetraphenylphosphonium, Pc = phthalocyaninato, L = CN, Cl, and Br) |
| Authors of publication | Yu, Derrick Ethelbhert C.; Matsuda, Masaki; Tajima, Hiroyuki; Kikuchi, Akira; Taketsugu, Tetsuya; Hanasaki, Noriaki; Naito, Toshio; Inabe, Tamotsu |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2009 |
| Journal volume | 19 |
| Journal issue | 6 |
| Pages of publication | 718 |
| a | 21.41 ± 0.002 Å |
| b | 21.41 ± 0.002 Å |
| c | 7.5777 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3473.5 ± 0.6 Å3 |
| Cell temperature | 123.1 K |
| Number of distinct elements | 6 |
| Space group number | 86 |
| Hermann-Mauguin space group symbol | P 42/n :2 |
| Hall space group symbol | -P 4bc |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for all reflections included in the refinement | 0.1091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7200404.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7200404.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7200404.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7200404.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.