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Information card for entry 4340597
Preview
Coordinates | 4340597.cif |
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Original paper (by DOI) | HTML |
Chemical name | 1,3-dimethylimidazolium Tetrabromoferrate |
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Formula | C5 H9 Br4 Fe N2 |
Calculated formula | C5 H9 Br4 Fe N2 |
SMILES | [Fe](Br)(Br)(Br)[Br-].n1(c[n+](cc1)C)C |
Title of publication | Anion-π and Halide-Halide Nonbonding Interactions in a New Ionic Liquid Based on Imidazolium Cation with Three-Dimensional Magnetic Ordering in the Solid State. |
Authors of publication | García-Saiz, Abel; de Pedro, Imanol; Migowski, Pedro; Vallcorba, Oriol; Junquera, Javier; Blanco, Jesús Angel; Fabelo, Oscar; Sheptyakov, Denis; Waerenborgh, Joao Carlos; Fernández-Díaz, María Teresa; Rius, Jordi; Dupont, Jairton; Gonzalez, Jesús Antonio; Fernández, Jesús Rodríguez |
Journal of publication | Inorganic chemistry |
Year of publication | 2014 |
Journal volume | 53 |
Journal issue | 16 |
Pages of publication | 8384 - 8396 |
a | 6.752 ± 0.0001 Å |
b | 14.3717 ± 0.0003 Å |
c | 6.75 ± 0.0002 Å |
α | 90° |
β | 90.676 ± 0.001° |
γ | 90° |
Cell volume | 654.96 ± 0.03 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor R(I) for significantly intense reflections | 0.019 |
Goodness-of-fit parameter for all reflections | 2.047 |
Method of determination | powder diffraction |
Diffraction radiation wavelength | 0.62039 Å |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179508 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/05. |
4340597.cif |
122892 | 2014-09-06 | cif/ Updating files of 4340596, 4340597 Original log message: Adding full bibliography for 4340596--4340597.cif. |
4340597.cif |
121009 | 2014-08-01 | cif/ Adding structures of 4340596, 4340597 via cif-deposit CGI script. |
4340597.cif |
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