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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)] |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1543170.html
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Users of the data should acknowledge the original authors of the
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