Crystallography Open Database

Information card for entry 4336764

Preview

Coordinates	4336764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl6 I2
Calculated formula	Cl6 I2
SMILES	[I]1(Cl)(Cl)[Cl][I](Cl)(Cl)[Cl]1
Title of publication	Structures and Stability of Molecular InBr3Pyx (x= 1-3) Complexes: Unexpected Solid State Stabilization of Dimeric In2Br6Py4As Compared to Valence-Isoelectronic Group 15 and 17 Halogen Bridging Dimers
Authors of publication	Igor V. Kazakov; Michael Bodensteiner; Anna S. Lisovenko; Andrew V. Suvorov; Manfred Scheer; Gábor Balázs; Alexey Y. Timoshkin
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	13207 - 13215
a	5.402 ± 0.0003 Å
b	5.6323 ± 0.0003 Å
c	8.307 ± 0.0004 Å
α	71.756 ± 0.005°
β	78.314 ± 0.005°
γ	81.092 ± 0.005°
Cell volume	233.93 ± 0.02 Å³
Cell temperature	123.05 ± 0.1 K
Ambient diffraction temperature	123.05 ± 0.1 K
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0267
Residual factor for significantly intense reflections	0.0206
Weighted residual factors for significantly intense reflections	0.0365
Weighted residual factors for all reflections included in the refinement	0.0372
Goodness-of-fit parameter for all reflections included in the refinement	0.972
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
179470 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/67.	4336764.cif
102781	2014-02-22	cif/ Adding structures of 4336764 via cif-deposit CGI script.	4336764.cif