Information card for entry 7212073

Structure parameters

• Common name: 1-ethyl-3-methylimidazolium hexachloridoniobate
• Chemical name: 1-ethyl-3-methylimidazolium hexachloridoniobate
• Formula: C6 H11 Cl6 N2 Nb
• Calculated formula: C6 H11 Cl6 N2 Nb
• SMILES: [Nb](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-].n1(c[n+](cc1)C)CC
• 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: 20.1861 ± 0.0014 Å
• b: 7.0842 ± 0.0006 Å
• c: 20.5488 ± 0.0013 Å
• α: 90°
• β: 98.455 ± 0.005°
• γ: 90°
• Cell volume: 2906.6 ± 0.4 ų
• 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No