Crystallography Open Database

Information card for entry 7208437

7208436 << 7208437 >> 7208438

Preview

Coordinates	7208437.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H28 I6 N8 O S2
Calculated formula	C28 H16 I6 N7.999 O S1.9974
Title of publication	Cationic and anionic 1D chains based on NH+⋯N charge-assisted hydrogen bonds in bipyridyl derivatives and polyiodides
Authors of publication	Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Pintus, Anna
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	18
Pages of publication	5809
a	10.905 ± 0.004 Å
b	11.753 ± 0.01 Å
c	16.185 ± 0.006 Å
α	75.08 ± 0.04°
β	72.27 ± 0.03°
γ	80.78 ± 0.05°
Cell volume	1902 ± 2 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 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	0.1253
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.175
Weighted residual factors for all reflections included in the refinement	0.2001
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
180415 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/84.	7208437.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208437.cif
66462	2012-09-11	cif/ Adding structures of 7208434, 7208435, 7208436, 7208437, 7208438, 7208439 via cif-deposit CGI script.	7208437.cif