Information card for entry 2220623

Structure parameters

• Chemical name: di-μ-hydroxido-bis{aquatri[bromido/chlorido(2/1)]tin(IV)} acetone solvate
• Formula: C6 H18 Br1.97 Cl4.03 O6 Sn2
• Calculated formula: C6 H18 Br1.968 Cl4.032 O6 Sn2
• Title of publication: Hydrogen bonding in substitutionally disordered di-μ-hydroxido-bis{aquatri[bromido/chlorido(1/2)]tin(IV)} acetone disolvate
• Authors of publication: Barbul, Ioana; Varga, Richard A.; Silvestru, Cristian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m39
• a: 6.9057 ± 0.0013 Å
• b: 14.029 ± 0.003 Å
• c: 11.4 ± 0.002 Å
• α: 90°
• β: 103.195 ± 0.004°
• γ: 90°
• Cell volume: 1075.3 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• 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: 0.0488
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes