Crystallography Open Database

Information card for entry 7223839

Preview

Coordinates	7223839.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H14 O2 Pd S4
Calculated formula	C8 H14 O2 Pd S4
SMILES	[Pd]12([S]=C(S1)OCCC)[S]=C(S2)OCCC
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	7.4778 ± 0.0004 Å
b	9.5272 ± 0.0006 Å
c	9.8084 ± 0.0005 Å
α	74.832 ± 0.005°
β	86.458 ± 0.004°
γ	76.292 ± 0.005°
Cell volume	655.22 ± 0.07 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	0.0473
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0694
Weighted residual factors for all reflections included in the refinement	0.0775
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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.	7223839.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.	7223839.cif