Crystallography Open Database

Information card for entry 7222011

7222010 << 7222011 >> 7222012

Preview

Structure parameters

Common name	pdsash
Chemical name	pdsash
Formula	C32 H25 N2 O3 P Pd
Calculated formula	C32 H25 N2 O3 P Pd
SMILES	c12ccccc1C=[N]1N=C(c3c(cccc3)O)O[Pd]1(O2)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	ONO Pincer type Pd(II) complexes: Synthesis, crystal structure and catalytic activity towards C-2 arylation of quinoline scaffolds
Authors of publication	ARUMUGAM, VIGNESH; Kaminsky, Werner; Nallasamy, Dharmaraj
Journal of publication	RSC Adv.
Year of publication	2015
a	9.2348 ± 0.0005 Å
b	10.1529 ± 0.0005 Å
c	15.3801 ± 0.001 Å
α	97.685 ± 0.004°
β	90.359 ± 0.004°
γ	110.319 ± 0.004°
Cell volume	1338 ± 0.14 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 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	0.0559
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.0917
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	7222011.cif
154311	2015-09-05	cif/ Adding structures of 7222011, 7222012, 7222013, 7222014 via cif-deposit CGI script.	7222011.cif