Information card for entry 2233316

Structure parameters

• Formula: C8 H34 N6 O12 S2 Sn
• Calculated formula: C8 H34 N6 O12 S2 Sn
• SMILES: C[Sn]([OH2])([OH2])(C)([OH2])[OH2].CN(C(=[NH2+])N)C.S(=O)(=O)([O-])[O-].CN(C)C(=[NH2+])N.S(=O)(=O)([O-])[O-]
• Title of publication: Bis(1,1-dimethylguanidinium) tetraaquadimethyltin(IV) bis(sulfate)
• Authors of publication: Boye, Mouhamadou Sembene; Diasse-Sarr, Aminata; Lebraud, Eric; Guionneau, Philippe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: m70
• a: 6.683 ± 0.001 Å
• b: 12.609 ± 0.002 Å
• c: 13.469 ± 0.002 Å
• α: 90°
• β: 99.207 ± 0.01°
• γ: 90°
• Cell volume: 1120.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0572
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes