Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7024177
Preview
| Coordinates | 7024177.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H42 Cu F6 Fe2 O13 S2 |
|---|---|
| Calculated formula | C41 H42 Cu F6 Fe2 O13 S2 |
| SMILES | C12C=CC(=CC=C1[O](C)[Cu]1([O]=2)([O]=C2C=CC(=CC=C2[O]1C)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)([OH2])[OH2])[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.C(=O)(C)C |
| Title of publication | Structural, electronic and magnetic properties of Cu(II) complexes of 2-substituted tropones bearing a ferrocenyl group at 5-position. |
| Authors of publication | Nishinaga, Tohru; Aono, Tomoshi; Isomura, Eigo; Watanabe, Sayaka; Miyake, Yoshihiro; Miyazaki, Akira; Enoki, Toshiaki; Miyasaka, Hitoshi; Otani, Hiroyuki; Iyoda, Masahiko |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 9 |
| Pages of publication | 2293 - 2300 |
| a | 13.924 ± 0.003 Å |
| b | 15.246 ± 0.003 Å |
| c | 11.486 ± 0.005 Å |
| α | 105.98 ± 0.02° |
| β | 92.31 ± 0.02° |
| γ | 105.5 ± 0.02° |
| Cell volume | 2241.7 ± 1.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0907 |
| Residual factor for significantly intense reflections | 0.075 |
| Weighted residual factors for significantly intense reflections | 0.2468 |
| Weighted residual factors for all reflections included in the refinement | 0.2574 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.148 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179946 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/41. |
7024177.cif |
| 92248 | 2014-01-12 | cif/ Adding structures of 7024177, 7024178, 7024179, 7024180, 7024181, 7024182 via cif-deposit CGI script. |
7024177.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.