Information card for entry 2242350

Structure parameters

• Chemical name: Triethylenetetraammonium hexachloridostannate(IV) dichloride dihydrate
• Formula: C6 H26 Cl8 N4 O2 Sn
• Calculated formula: C6 H26 Cl8 N4 O2 Sn
• SMILES: [Sn](Cl)(Cl)([Cl-])([Cl-])(Cl)Cl.[Cl-].[Cl-].O.O.[NH3+]CC[NH2+]CC[NH2+]CC[NH3+]
• Title of publication: Synthesis, X-ray diffraction and Hirshfeld surface analysis of two new hybrid dihydrate compounds: (C~6~H~22~N~4~)[SnCl~6~]Cl~2~·2H~2~O and (C~8~H~24~N~4~)[SnCl~6~]Cl~2~·2H~2~O
• Authors of publication: Bouchene, Rafika; Lecheheb, Zohir; Belhouas, Ratiba; Bouacida, Sofiane
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 2
• Pages of publication: 206 - 211
• a: 8.7573 ± 0.0002 Å
• b: 12.8372 ± 0.0003 Å
• c: 9.7103 ± 0.0002 Å
• α: 90°
• β: 107.265 ± 0.001°
• γ: 90°
• Cell volume: 1042.44 ± 0.04 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0308
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No