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Information card for entry 4079656
Preview
| Coordinates | 4079656.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H41 F12 Fe Ge Na O7 |
|---|---|
| Calculated formula | C39 H41 F12 Fe Ge Na O7 |
| SMILES | [Ge]123([Fe]4567(C#[O][Na]89([F]C(C(c%10c1ccc(c%10)C)(C(F)(F)[F]8)[O]29)(F)F)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)(C#[O])[cH]1[cH]7[cH]6[cH]5[cH]41)c1ccc(cc1C(O3)(C(F)(F)F)C(F)(F)F)C |
| 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 | 9.547 ± 0.01 Å |
| b | 11.309 ± 0.013 Å |
| c | 20.59 ± 0.02 Å |
| α | 79.17 ± 0.07° |
| β | 76.9 ± 0.07° |
| γ | 77.94 ± 0.07° |
| Cell volume | 2094 ± 4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0821 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.1121 |
| Weighted residual factors for all reflections included in the refinement | 0.1447 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| 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. |
4079656.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4079656.cif |
| 72516 | 2013-01-21 | cif/ Adding structures of 4079656, 4079657 via cif-deposit CGI script. |
4079656.cif |
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