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Information card for entry 1543422
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| Coordinates | 1543422.cif |
|---|---|
| Structure factors | 1543422.hkl |
| Original IUCr paper | HTML |
| Chemical name | (1,4,7,10,13,16-Hexaoxacyclooctadecane-κ^6^<i>O</i>)potassium dicarbonyl(η^5^-pentamethylcyclopentadienyl)ferrate(II) |
|---|---|
| Formula | C24 H39 Fe K O8 |
| Calculated formula | C24 H39 Fe K O8 |
| SMILES | [Fe]1234(C#[O][K]56789[O]%10CC[O]5CC[O]6CC[O]7CC[O]8CC[O]9CC%10)(C#[O])[c]5([c]4([c]3([c]2([c]15C)C)C)C)C |
| Title of publication | [K(18-crown-6)][FeCp*(CO)~2~] |
| Authors of publication | Mizuhata, Yoshiyuki; Yanagisawa, Tatsuya; Sasamori, Takahiro; Tokitoh, Norihiro |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 6 |
| Pages of publication | x160881 |
| a | 8.4761 ± 0.0002 Å |
| b | 15.2842 ± 0.0002 Å |
| c | 20.5734 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2665.29 ± 0.08 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0267 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.0665 |
| Weighted residual factors for all reflections included in the refinement | 0.0671 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183361 (current) | 2016-06-11 | cif/ hkl/ Adding structures of 1543422 via cif-deposit CGI script. |
1543422.cif 1543422.hkl |
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Users of the data should acknowledge the original authors of the
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