Information card for entry 8104645

Structure parameters

• Common name: bis(theophyllinium) hexachloridostannate(IV)
• Formula: C14 H18 Cl6 N8 O4 Sn
• Calculated formula: C14 H18 Cl6 N8 O4 Sn
• Title of publication: The layered crystal structure of bis(theophyllinium) hexachloridostannate (IV), C14H18N8O8SnCl6
• Authors of publication: Reiss, Guido J.; Wyshusek, Maik
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 989 - 992
• a: 8.181 ± 0.0002 Å
• b: 12.6195 ± 0.0003 Å
• c: 11.3811 ± 0.0002 Å
• α: 90°
• β: 90.258 ± 0.002°
• γ: 90°
• Cell volume: 1174.97 ± 0.05 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 6
• 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: 0.0451
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No