Crystallography Open Database

Information card for entry 7715787

Preview

Coordinates	7715787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 Cl N O Pd S
Calculated formula	C16 H16 Cl N O Pd S
SMILES	[Pd]12(c3cc(OC)c(cc3C=[N]2c2ccccc2[S]1C)C)Cl
Title of publication	Reactivity of Schiff base-[C,N,S] pincer palladacycles: hydrolysis renders singular trinuclear, tetranuclear, and heteropentanuclear Pd<sub>3</sub>W<sub>2</sub> coordinated complexes.
Authors of publication	Reigosa, Francisco; Polo, Paula M.; Pereira, M. Teresa; Vila, José M
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	23
Pages of publication	9680 - 9691
a	8.134 ± 0.0002 Å
b	11.6466 ± 0.0003 Å
c	17.0711 ± 0.0004 Å
α	90°
β	101.914 ± 0.001°
γ	90°
Cell volume	1582.37 ± 0.07 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0312
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.051
Weighted residual factors for all reflections included in the refinement	0.0547
Goodness-of-fit parameter for all reflections included in the refinement	1.0366
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
293127 (current)	2024-07-05	cif/ Updating files of 7715787, 7715788, 7715789, 7715790, 7715791 Original log message: Adding full bibliography for 7715787--7715791.cif.	7715787.cif
291298	2024-04-20	cif/ Adding structures of 7715787, 7715788, 7715789, 7715790, 7715791 via cif-deposit CGI script.	7715787.cif