Crystallography Open Database

Information card for entry 7221006

Preview

Structure parameters

Formula	C34 H25 N2 O2 P Pd S
Calculated formula	C34 H25 N2 O2 P Pd S
SMILES	[Pd]12(Oc3c(C=[N]2N=C(O1)c1sccc1)c1c(cc3)cccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Palladium(II) complexes containing ONO tridentate hydrazone for Suzuki- Miyaura coupling of aryl chlorides in aqueous-organic media.
Authors of publication	Arumugam, Vignesh; Kaminsky, Werner; Bhuvanesh, Nattamai; Nallasamy, Dharmaraj
Journal of publication	RSC Adv.
Year of publication	2015
a	15.531 ± 0.005 Å
b	10.833 ± 0.003 Å
c	17.549 ± 0.005 Å
α	90°
β	101.774 ± 0.003°
γ	90°
Cell volume	2890.5 ± 1.5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
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	0.0226
Residual factor for significantly intense reflections	0.0205
Weighted residual factors for significantly intense reflections	0.0518
Weighted residual factors for all reflections included in the refinement	0.0531
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7221006.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7221006.cif
139995	2015-07-04	cif/ Adding structures of 7221006, 7221007, 7221008 via cif-deposit CGI script.	7221006.cif