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Information card for entry 1508376
Preview
Coordinates | 1508376.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H24 Cl5 Fe N2 O4 |
---|---|
Calculated formula | C10 H24 Cl5 Fe N2 O4 |
SMILES | [Fe](Cl)(Cl)(Cl)[Cl-].[Cl-].O=C(O)C[N+](C)(C)C.O=C(O)C[N+](C)(C)C |
Title of publication | Betaine Chloride-Betaine Tetrachloridoferrate(III). An Ionic Liquid Related Crystal Structure Governed by the Pearson Concept |
Authors of publication | Bäcker, Tobias; Mudring, Anja-Verena |
Journal of publication | Crystals |
Year of publication | 2012 |
Journal volume | 2 |
Journal issue | 1 |
Pages of publication | 110 - 117 |
a | 6.2717 ± 0.0013 Å |
b | 12.841 ± 0.003 Å |
c | 25.693 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2069.2 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 57 |
Hermann-Mauguin space group symbol | P b c m |
Hall space group symbol | -P 2c 2b |
Residual factor for all reflections | 0.0813 |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for significantly intense reflections | 0.0752 |
Weighted residual factors for all reflections included in the refinement | 0.0818 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.8 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1508376.html
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