Crystallography Open Database

Information card for entry 1547500

Preview

Coordinates	1547500.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H16 Cl N Pd Se
Calculated formula	C19 H16 Cl N Pd Se
SMILES	[Pd]12(c3c4c(cccc4C=[N]2CC[Se]1c1ccccc1)ccc3)Cl
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	5.5753 ± 0.0019 Å
b	8.462 ± 0.003 Å
c	36.235 ± 0.012 Å
α	90°
β	90°
γ	90°
Cell volume	1709.5 ± 1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.041
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0937
Weighted residual factors for all reflections included in the refinement	0.0946
Goodness-of-fit parameter for all reflections included in the refinement	1.146
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.	1547500.cif
201558	2017-10-02	cif/ Adding structures of 1547499, 1547500, 1547501, 1547502, 1547503 via cif-deposit CGI script.	1547500.cif