Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7032838
Preview
| Coordinates | 7032838.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C144 H168 Fe2 N24 O33 |
|---|---|
| Calculated formula | C96 H48 Fe2 N8 O17 |
| SMILES | c1c2=C(c3ccc4=C(c5n6c(cc5)C(=c5[n]7[Fe]6(n2c(=C(c7cc5)c2ccc(cc2)C(=O)[O-])c1)([n]34)O[Fe]123[n]4c5=C(c6n3c(C(=c3[n]2c(C(=c2ccc(=C(c4cc5)c4ccc(cc4)C(=O)[O-])n12)c1ccc(cc1)C(=O)[O-])cc3)c1ccc(cc1)C(=O)[O-])cc6)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] |
| Title of publication | Heterogeneous catalytic properties of unprecedented μ-O-[FeTCPP]2 dimers (H2TCPP = meso-tetra(4-carboxyphenyl)porphyrin): an unusual superhyperfine EPR structure. |
| Authors of publication | Fidalgo-Marijuan, Arkaitz; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren Karmele; Larrea, Edurne S.; Iglesias, Marta; Lezama, Luis; Arriortua, María Isabel |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 1 |
| Pages of publication | 213 - 222 |
| a | 39.334 ± 0.0004 Å |
| b | 19.8329 ± 0.0002 Å |
| c | 16.0292 ± 0.0002 Å |
| α | 90° |
| β | 98.418 ± 0.001° |
| γ | 90° |
| Cell volume | 12369.8 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.0788 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.1867 |
| Weighted residual factors for all reflections included in the refinement | 0.2025 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180034 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/28. |
7032838.cif |
| 131079 | 2015-02-04 | cif/ Updating files of 7032838 Original log message: Adding full bibliography for 7032838.cif. |
7032838.cif |
| 125532 | 2014-10-18 | cif/ Adding structures of 7032838 via cif-deposit CGI script. |
7032838.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.