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Information card for entry 4079657
Preview
| Coordinates | 4079657.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H33 F12 Fe Ge N O4 |
|---|---|
| Calculated formula | C37 H33 F12 Fe Ge N O4 |
| SMILES | [Ge]12(OC(c3c1ccc(c3)C)(C(F)(F)F)C(F)(F)F)(OC(c1c2ccc(c1)C)(C(F)(F)F)C(F)(F)F)[Fe]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45.[N+](C)(C)(C)Cc1ccccc1 |
| Title of publication | Anionic Iron Complexes with a Bond between an Ate-Type Pentacoordinated Germanium and an Iron Atom |
| Authors of publication | Kano, Naokazu; Yoshinari, Naohito; Shibata, Yusuke; Miyachi, Mariko; Kawashima, Takayuki; Enomoto, Masaya; Okazawa, Atsushi; Kojima, Norimichi; Guo, Jing-Dong; Nagase, Shigeru |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 23 |
| Pages of publication | 8059 |
| a | 9.703 ± 0.002 Å |
| b | 18.313 ± 0.005 Å |
| c | 20.76 ± 0.005 Å |
| α | 90° |
| β | 93.267 ± 0.003° |
| γ | 90° |
| Cell volume | 3682.9 ± 1.5 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.065 |
| Residual factor for significantly intense reflections | 0.0555 |
| Weighted residual factors for significantly intense reflections | 0.1391 |
| Weighted residual factors for all reflections included in the refinement | 0.1463 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178685 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/96. |
4079657.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4079657.cif |
| 72516 | 2013-01-21 | cif/ Adding structures of 4079656, 4079657 via cif-deposit CGI script. |
4079657.cif |
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Users of the data should acknowledge the original authors of the
structural data.