Crystallography Open Database

Information card for entry 7225894

Preview

Coordinates	7225894.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,3,5-tris(3-iodo-1-pyridiniomethyl)-2,4,6-trimethylbenzene nitrate hexafluorophosphate
Formula	C27 H27 F6 I3 N5 O6 P
Calculated formula	C27 H27 F6 I3 N5 O6 P
Title of publication	Novel hydrogen- and halogen-bonding anion receptors based on 3-iodopyridinium units
Authors of publication	Amendola, Valeria; Bergamaschi, Greta; Boiocchi, Massimo; Fusco, Nadia; La Rocca, Mario Vincenzo; Linati, Laura; Lo Presti, Eliana; Mella, Massimo; Metrangolo, Pierangelo; Miljkovic, Ana
Journal of publication	RSC Adv.
Year of publication	2016
a	11.352 ± 0.002 Å
b	13.844 ± 0.003 Å
c	14.366 ± 0.003 Å
α	118.339 ± 0.004°
β	101.442 ± 0.004°
γ	99.631 ± 0.004°
Cell volume	1856 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0926
Residual factor for significantly intense reflections	0.073
Weighted residual factors for significantly intense reflections	0.2343
Weighted residual factors for all reflections included in the refinement	0.2561
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
184385 (current)	2016-07-12	cif/ Adding structures of 7225892, 7225893, 7225894, 7225895 via cif-deposit CGI script.	7225894.cif