Crystallography Open Database

Information card for entry 7223846

Preview

Coordinates	7223846.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H22 O2 Pd S4
Calculated formula	C12 H22 O2 Pd S4
SMILES	C1(OCCC(C)C)=[S][Pd]2(S1)[S]=C(OCCC(C)C)S2
Title of publication	Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials
Authors of publication	Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	7
Pages of publication	1105
a	6.5622 ± 0.0004 Å
b	6.8643 ± 0.0005 Å
c	9.8385 ± 0.0007 Å
α	84.811 ± 0.006°
β	76.424 ± 0.006°
γ	83.388 ± 0.006°
Cell volume	427 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0327
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0781
Weighted residual factors for all reflections included in the refinement	0.0829
Goodness-of-fit parameter for all reflections included in the refinement	1.129
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
177740 (current)	2016-03-05	cif/ Updating files of 7223837, 7223838, 7223839, 7223840, 7223841, 7223842, 7223843, 7223844, 7223845, 7223846, 7223847, 7223848 Original log message: Adding full bibliography for 7223837--7223848.cif.	7223846.cif
174362	2016-01-12	cif/ Adding structures of 7223837, 7223838, 7223839, 7223840, 7223841, 7223842, 7223843, 7223844, 7223845, 7223846, 7223847, 7223848 via cif-deposit CGI script.	7223846.cif