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Information card for entry 4103891
Preview
| Coordinates | 4103891.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H48 F12 Fe4 P2 Si2 |
|---|---|
| Calculated formula | C38 H46 F12 Fe4 P2 Si2 |
| SMILES | [CH]123[Fe]456789%10%11([c]%12([cH]4[cH]5[cH]6[cH]7%12)C)C4(C#C[Si](C)(C)C)[Fe]567%12%13%14%159([CH]1([Fe]19%16%172%104%14[c]2([cH]1[cH]9[cH]%16[cH]%172)C)[Fe]12493%11%15(C85C#C[Si](C)(C)C)[c]3([cH]1[cH]2[cH]4[cH]93)C)[c]1([cH]6[cH]7[cH]%12[cH]%131)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Redox-Responsive Recombination of Carbon-Carbon Bonds on Flexible Tetrairon Cores |
| Authors of publication | Masaaki Okazaki; Masato Takano; Fumiyuki Ozawa |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 1684 - 1685 |
| a | 11.366 ± 0.01 Å |
| b | 11.366 ± 0.01 Å |
| c | 29.309 ± 0.027 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3279 ± 5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 152 |
| Hermann-Mauguin space group symbol | P 31 2 1 |
| Hall space group symbol | P 31 2" |
| Residual factor for all reflections | 0.0683 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.1589 |
| Weighted residual factors for all reflections included in the refinement | 0.1663 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178784 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/38. |
4103891.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4103891.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4103891.cif |
| 28367 | 2011-10-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4103891 via cif-deposit CGI script. |
4103891.cif |
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Users of the data should acknowledge the original authors of the
structural data.