Crystallography Open Database

Information card for entry 1516908

Preview

Coordinates	1516908.cif

Structure parameters

Formula	C26 H24 N6 O11 Pd
Calculated formula	C26 H24 N6 O11 Pd
SMILES	[Pd]12([n]3c(c4[n]2cccc4)cccc3)[n]2cccc(c2)C(=O)OCCOCCOC(=O)c2ccc[n]1c2.O=N(=O)[O-].O=N(=O)[O-]
Title of publication	Self-assembled mononuclear palladium(II) based molecular loopsOriginal
Authors of publication	Himansu Sekhar Sahoo; Debakanta Tripathy; Sabyasachi Chakrabortty; Satish Bhat; Avinash Kumbhar; Dillip Kumar Chand
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	400
Pages of publication	42 - 50
a	13.877 ± 0.003 Å
b	15.793 ± 0.003 Å
c	17.406 ± 0.003 Å
α	83.599 ± 0.01°
β	73.146 ± 0.009°
γ	71.742 ± 0.01°
Cell volume	3466.1 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0759
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1464
Weighted residual factors for all reflections included in the refinement	0.1587
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516908.cif
119626	2014-07-08	cif/ Adding structures of 1516908 via cif-deposit CGI script.	1516908.cif