Crystallography Open Database

Information card for entry 1547499

Preview

Coordinates	1547499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H16 Cl N Pd S
Calculated formula	C19 H16 Cl N Pd S
SMILES	c1c([S]2[Pd]3(c4cccc5c4c(C=[N]3CC2)ccc5)Cl)cccc1
Title of publication	Sonogashira (Cu and amine free) and Suzuki coupling in air catalyzed <i>via</i> nanoparticles formed <i>in situ</i> from Pd( <scp>ii</scp> ) complexes of chalcogenated Schiff bases of 1-naphthaldehyde and their reduced forms
Authors of publication	Bhaskar, Renu; Sharma, Alpesh K.; Yadav, Manoj K.; Singh, Ajai K.
Journal of publication	Dalton Transactions
Year of publication	2017
Journal volume	46
Journal issue	44
Pages of publication	15235 - 15248
a	14.971 ± 0.002 Å
b	8.5731 ± 0.0012 Å
c	26.443 ± 0.004 Å
α	90°
β	96.075 ± 0.002°
γ	90°
Cell volume	3374.8 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0503
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.0995
Weighted residual factors for all reflections included in the refinement	0.1022
Goodness-of-fit parameter for all reflections included in the refinement	1.234
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
282777 (current)	2023-04-20	cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M.	1547499.cif
201558	2017-10-02	cif/ Adding structures of 1547499, 1547500, 1547501, 1547502, 1547503 via cif-deposit CGI script.	1547499.cif