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Information card for entry 2241993
Preview
| Coordinates | 2241993.cif |
|---|---|
| Structure factors | 2241993.hkl |
| Original IUCr paper | HTML |
| Chemical name | μ-Carbonyl-1:2κ^2^<i>C</i>:<i>C</i>-carbonyl-1κ<i>C</i>-(1η^5^-cyclopentadienyl)iodido-2κ<i>I</i>-[μ-2-(pyridin-2-yl)ethene-1,1-diyl-1κ<i>C</i>^1^:2κ^2^<i>N</i>,<i>C</i>^1^]ironpalladium(<i>Fe</i>—<i>Pd</i>) benzene monosolvate |
|---|---|
| Formula | C20 H16 Fe I N O2 Pd |
| Calculated formula | C20 H16 Fe I N O2 Pd |
| SMILES | [Pd]123(C([Fe]45671(C#[O])(C3=O)[cH]1[cH]4[cH]5[cH]6[cH]71)=Cc1[n]2cccc1)I.c1ccccc1 |
| Title of publication | Crystal structure of μ-carbonyl-1:2κ^2^<i>C</i>:<i>C</i>-carbonyl-1κ<i>C</i>-(1η^5^-cyclopentadienyl)iodido-2κ<i>I</i>-[μ-2-(pyridin-2-yl)ethene-1,1-diyl-1κ<i>C</i>^1^:2κ^2^<i>N</i>,<i>C</i>^1^]ironpalladium(<i>Fe</i>—<i>Pd</i>) benzene monosolvate |
| Authors of publication | Verpekin, Victor V.; Kreindlin, Arkadii Z.; Semeikin, Oleg V.; Smol'yakov, Alexander F.; Dolgushin, Fedor M.; Chudin, Oleg S.; Ustynyuk, Nikolai A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 1 |
| Pages of publication | 68 - 71 |
| a | 14.3058 ± 0.0008 Å |
| b | 9.0983 ± 0.0005 Å |
| c | 14.7315 ± 0.0008 Å |
| α | 90° |
| β | 100.553 ± 0.001° |
| γ | 90° |
| Cell volume | 1885 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0291 |
| Residual factor for significantly intense reflections | 0.0257 |
| Weighted residual factors for significantly intense reflections | 0.064 |
| Weighted residual factors for all reflections included in the refinement | 0.0658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.145 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 189331 (current) | 2016-12-23 | cif/ hkl/ Adding structures of 2241993 via cif-deposit CGI script. |
2241993.cif 2241993.hkl |
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