Crystallography Open Database

Information card for entry 1514329

Preview

Coordinates	1514329.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 Cl2 O Pd S2
Calculated formula	C15 H16 Cl2 O Pd S2
SMILES	[Pd]1([S](c2ccccc2)CC(O)C[S]1c1ccccc1)(Cl)Cl
Title of publication	Palladium-phosphorus/sulfur nanoparticles (NPs) decorated on graphene oxide: synthesis using the same precursor for NPs and catalytic applications in Suzuki-Miyaura coupling.
Authors of publication	Joshi, Hemant; Sharma, Kamal Nayan; Sharma, Alpesh K; Singh, Ajai Kumar
Journal of publication	Nanoscale
Year of publication	2014
Journal volume	6
Journal issue	9
Pages of publication	4588 - 4597
a	8.117 ± 0.003 Å
b	20.123 ± 0.008 Å
c	20.541 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	3355 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0547
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1124
Weighted residual factors for all reflections included in the refinement	0.1191
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514329.cif
111320	2014-04-21	cif/ Updating files of 1514329 Original log message: Adding full bibliography for ./tmp-cod-update-bibliographies-22517/cifs/1514329.cif.	1514329.cif
109391	2014-04-11	cif/ Adding structures of 1514329 via cif-deposit CGI script.	1514329.cif