Crystallography Open Database

Information card for entry 2242888

Preview

Coordinates	2242888.cif
Structure factors	2242888.hkl
Original IUCr paper	HTML

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 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 F_obs	Yes

Version history

Revision	Date	Message	Files
214468 (current)	2019-04-03	cif/ hkl/ Adding structures of 2242888 via cif-deposit CGI script.	2242888.cif 2242888.hkl