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Information card for entry 2242888
Preview
Coordinates | 2242888.cif |
---|---|
Structure factors | 2242888.hkl |
Original IUCr paper | HTML |
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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2242888.html
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