Information card for entry 2221021

Structure parameters

• Chemical name: 2-(2-Ammonioethyl)pyridinium hexachloridorhenate(IV)
• Formula: C7 H12 Cl6 N2 Re
• Calculated formula: C7 H12 Cl6 N2 Re
• SMILES: [nH+]1ccccc1CC[NH3+].[Re](Cl)(Cl)(Cl)(Cl)([Cl-])[Cl-]
• Title of publication: 2-(2-Ammonioethyl)pyridinium hexachloridorhenate(IV)
• Authors of publication: Kochel, Andrzej
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: m245
• a: 7.371 ± 0.002 Å
• b: 14.204 ± 0.003 Å
• c: 15.159 ± 0.003 Å
• α: 66.87 ± 0.02°
• β: 84.74 ± 0.02°
• γ: 75.61 ± 0.02°
• Cell volume: 1413.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes