Crystallography Open Database

Information card for entry 1516910

Preview

Coordinates	1516910.cif

Structure parameters

Formula	C36 H44 N6 O20 Pd
Calculated formula	C36 H40 N6 O20 Pd
SMILES	[Pd]12([n]3cccc(c3)C(=O)OCCOCCOCCOC(=O)c3c[n]1ccc3)[n]1cccc(c1)C(=O)OCCOCCOCCOC(=O)c1c[n]2ccc1.O=N([O-])=O.O.O=N([O-])=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	9.918 ± 0.002 Å
b	9.982 ± 0.002 Å
c	14.23 ± 0.003 Å
α	101.06 ± 0.03°
β	107.24 ± 0.03°
γ	93.23 ± 0.03°
Cell volume	1310.8 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0793
Residual factor for significantly intense reflections	0.0793
Weighted residual factors for significantly intense reflections	0.2491
Weighted residual factors for all reflections included in the refinement	0.2491
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1516910.cif
119628	2014-07-08	cif/ Adding structures of 1516910 via cif-deposit CGI script.	1516910.cif