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Information card for entry 7212075
Preview
Coordinates | 7212075.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 1-butyl-4-methylpyridinium hexachloridoniobate |
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Chemical name | 1-butyl-4-methylpyridinium hexachloridoniobate |
Formula | C10 H16 Cl6 N Nb |
Calculated formula | C10 H16 Cl6 N Nb |
SMILES | [Nb](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-].[n+]1(ccc(cc1)C)CCCC |
Title of publication | Structural and spectroscopic elucidation of imidazolium and pyridinium based hexachloridophosphates and niobates |
Authors of publication | Gjikaj, Mimoza; Leye, Johann-Christian; Xie, Tao; Brockner, Wolfgang |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 5 |
Pages of publication | 1474 |
a | 15.1731 ± 0.0019 Å |
b | 7.3248 ± 0.0007 Å |
c | 16.193 ± 0.0018 Å |
α | 90° |
β | 101.85 ± 0.009° |
γ | 90° |
Cell volume | 1761.3 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0464 |
Residual factor for significantly intense reflections | 0.035 |
Weighted residual factors for significantly intense reflections | 0.0763 |
Weighted residual factors for all reflections included in the refinement | 0.0809 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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