Information card for entry 2242888

Structure parameters

• Chemical name: Decasodium octa-<i>n</i>-butanesulfonate di-μ-chlorido-bis[dichloridopalladate(II)] tetrahydrate
• Formula: C32 H80 Cl6 Na10 O28 Pd2 S8
• Calculated formula: C32 H80 Cl6 Na10 O28 Pd2 S8
• SMILES: [Pd]1(Cl)(Cl)[Cl][Pd](Cl)(Cl)[Cl]1.S(=O)(=O)([O-])CCCC.S(=O)(=O)([O-])CCCC.S(=O)(=O)([O-])CCCC.S(=O)(=O)([O-])CCCC.S(=O)(=O)([O-])CCCC.S(=O)(=O)([O-])CCCC.S(=O)(=O)([O-])CCCC.S(=O)(=O)([O-])CCCC.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O
• Title of publication: Crystal engineering with short-chained amphiphiles: decasodium octa-<i>n</i>-butanesulfonate di-μ-chlorido-bis[dichloridopalladate(II)] tetrahydrate, a layered inorganic‒organic hybrid material
• Authors of publication: Thoelen, Felix; Frank, Walter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 5
• Pages of publication: 557 - 561
• a: 15.9049 ± 0.0004 Å
• b: 9.9047 ± 0.0002 Å
• c: 22.6734 ± 0.0007 Å
• α: 90°
• β: 94.315 ± 0.002°
• γ: 90°
• Cell volume: 3561.69 ± 0.16 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• 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: 0.075
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.539
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes