Information card for entry 2013998

Structure parameters

• Chemical name: Tetrachlorodiaquatin(IV) monohydrate
• Formula: Cl4 H6 O3 Sn
• Calculated formula: Cl4 H6 O3 Sn
• SMILES: [Sn](Cl)(Cl)(Cl)Cl.O.O.O
• Title of publication: Hydrates of tin tetrachloride
• Authors of publication: Genge, Anthony R. J.; Levason, William; Patel, Rina; Reid, Gillian; Webster, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: i47 - i49
• a: 6.362 ± 0.003 Å
• b: 11.071 ± 0.004 Å
• c: 11.895 ± 0.004 Å
• α: 90°
• β: 90.22 ± 0.02°
• γ: 90°
• Cell volume: 837.8 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0318
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes