Crystallography Open Database

Information card for entry 8103278

Preview

Coordinates	8103278.cif

Structure parameters

Chemical name	Iodo-bis(1,10-phenanthroline)-copper(II) iodo-(<i>μ</i>~2~-iodo)-copper(I) hemi-octasulfur
Formula	C24 H16 Cu2 I3 N4 S4
Calculated formula	C24 H16 Cu2 I3 N4 S4
Title of publication	Crystal structure of iodobis(1,10-phenanthroline-k2N,N')copper(II) iodo(m2-iodo)copper(I) — octasulfur (2:1), [CuI(C12N2H8)2]2[Cu2I4] · S8
Authors of publication	Le-Qing Fan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2012
Journal volume	227
Journal issue	1
Pages of publication	79
a	23.109 ± 0.006 Å
b	15.246 ± 0.004 Å
c	17.005 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	5991 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.085
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.218
Weighted residual factors for all reflections included in the refinement	0.2322
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
176728 (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 8.	8103278.cif
52243	2012-04-09	../uploads/cif-deposit/cod/cif Adding structures of 8103278 via cif-deposit CGI script.	8103278.cif