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Information card for entry 1543170
Preview
| Coordinates | 1543170.cif |
|---|---|
| Structure factors | 1543170.hkl |
| Original IUCr paper | HTML |
| Chemical name | Di-μ-dimethylformamide-κ^4^<i>O</i>:<i>O</i>-μ-tetrahydrofuran-κ^2^<i>O</i>:<i>O</i>-bis[(tetrahydrofuran-κ<i>O</i>)sodium(I)] bis(μ-3,6-dichlorobenzene-1,2-dithiolato-κ^3^<i>S</i>,<i>S</i>':<i>S</i>)bis[(3,6-dichlorobenzene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')iron(III)] |
|---|---|
| Formula | C50 H62 Cl8 Fe2 N2 Na2 O7 S8 |
| Calculated formula | C50 H62 Cl8 Fe2 N2 Na2 O7 S8 |
| SMILES | [Fe]124([S]3[Fe]5(Sc7c(Cl)ccc(Cl)c7S5)(Sc5c3c(Cl)ccc5Cl)[S]4c3c(S2)c(Cl)ccc3Cl)Sc2c(Cl)ccc(Cl)c2S1.[Na]1([O]2CCCC2)([O]2CCCC2)[O](=CN(C)C)[Na]([O]1=CN(C)C)([O]1CCCC1)[O]1CCCC1.O1CCCC1 |
| Title of publication | Di-μ-dimethylformamide-κ^4^<i>O</i>:<i>O</i>-μ-tetrahydrofuran-κ^2^<i>O</i>:<i>O</i>-bis[(tetrahydrofuran-κ<i>O</i>)sodium(I)] bis(μ-3,6-dichlorobenzene-1,2-dithiolato-κ^3^<i>S</i>,<i>S</i>':<i>S</i>)bis[(3,6-dichlorobenzene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')iron(III)] |
| Authors of publication | Barrio, Jesús; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Perles, Josefina; Zamora, Félix |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 4 |
| Pages of publication | x160643 |
| a | 29.063 ± 0.002 Å |
| b | 9.9393 ± 0.0006 Å |
| c | 25.645 ± 0.003 Å |
| α | 90° |
| β | 121.609 ± 0.003° |
| γ | 90° |
| Cell volume | 6309 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1076 |
| Residual factor for significantly intense reflections | 0.0622 |
| Weighted residual factors for significantly intense reflections | 0.1447 |
| Weighted residual factors for all reflections included in the refinement | 0.1691 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182310 (current) | 2016-04-28 | cif/ hkl/ Adding structures of 1543170 via cif-deposit CGI script. |
1543170.cif 1543170.hkl |
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