Crystallography Open Database

Information card for entry 1547502

Preview

Coordinates	1547502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19.5 H20 Cl3 N Pd S
Calculated formula	C19.5 H20 Cl3 N Pd S
SMILES	[Pd]1([S](c2ccccc2)CC[NH]1Cc1c2c(cccc2)ccc1)(Cl)Cl.ClCCl
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	9.2268 ± 0.0017 Å
b	11.055 ± 0.002 Å
c	21.199 ± 0.004 Å
α	84.46 ± 0.004°
β	82.473 ± 0.004°
γ	72.438 ± 0.004°
Cell volume	2040.1 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.133
Residual factor for significantly intense reflections	0.0736
Weighted residual factors for significantly intense reflections	0.1361
Weighted residual factors for all reflections included in the refinement	0.1598
Goodness-of-fit parameter for all reflections included in the refinement	0.994
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.	1547502.cif
214153	2019-03-18	cif/1 Fixing Z values and formulae	1547502.cif
201558	2017-10-02	cif/ Adding structures of 1547499, 1547500, 1547501, 1547502, 1547503 via cif-deposit CGI script.	1547502.cif