Crystallography Open Database

Information card for entry 2312530

Preview

Coordinates	2312530.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(μ-1,4,10,13-Tetrathia-7,16-diazacyclooctadecane)bis[iodidopalladium(II)] diiodide penta(diiodine)
Formula	C12 H26 I14 N2 Pd2 S4
Calculated formula	C12 H26 I14 N2 Pd2 S4
Title of publication	Formation of extended polyiodides at large cation templates.
Authors of publication	Blake, Alexander J.; Castellano, Carlo; Lippolis, Vito; Podda, Enrico; Schröder, Martin
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2024
Journal volume	80
Journal issue	Pt 7
Pages of publication	311 - 318
a	21.609 ± 0.004 Å
b	8.198 ± 0.003 Å
c	24.151 ± 0.003 Å
α	90°
β	100.17 ± 0.013°
γ	90°
Cell volume	4211.1 ± 1.8 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0634
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1239
Weighted residual factors for all reflections included in the refinement	0.1361
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
293985 (current)	2024-08-07	cif/ Updating files of 2312530, 2312531 Original log message: Adding full bibliography for 2312530--2312531.cif.	2312530.cif
292634	2024-06-28	cif/ Adding structures of 2312530, 2312531 via cif-deposit CGI script.	2312530.cif