Crystallography Open Database

Information card for entry 1565727

Preview

Coordinates	1565727.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H30 I4 N4 O6 Pd
Calculated formula	C24 H30 I4 N4 O6 Pd
SMILES	c12O[Pd]3([N](=Cc2cc(cc1I)I)CCO)[N](=Cc1c(c(cc(c1)I)I)O3)CCO.C(=O)N(C)C.C(=O)N(C)C
Title of publication	Crystal structure and evaluating C H⋯π (aryl/chelate) interactions in bis(2-{[(2-hydroxyethyl)imino]-methyl}-4,6-diiodophenolato)-palladium(II) Schiff base complex derived from (E)-2-(((2-hydroxyethyl)imino)methyl)-4,6-diiodophenol
Authors of publication	Jebastin Andrews, S.G.; Benita Jeba Silviya, S.; Bhuvanesh, Nattamai S.P.; Janet Sylvia Jaba Rose, J.; Winfred Jebaraj, J.; Balakrishnan, Chithiraivel
Journal of publication	Inorganica Chimica Acta
Year of publication	2019
Journal volume	498
Pages of publication	119118
a	5.0844 ± 0.0001 Å
b	12.9078 ± 0.0003 Å
c	23.7918 ± 0.0006 Å
α	90°
β	92.651 ± 0.001°
γ	90°
Cell volume	1559.75 ± 0.06 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 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	0.0251
Residual factor for significantly intense reflections	0.0226
Weighted residual factors for significantly intense reflections	0.0445
Weighted residual factors for all reflections included in the refinement	0.0456
Goodness-of-fit parameter for all reflections included in the refinement	1.183
Diffraction radiation probe	x-ray
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
271383 (current)	2021-12-14	cif/ Adding structures of 1565727 via cif-deposit CGI script.	1565727.cif