Crystallography Open Database

Information card for entry 7218479

Preview

Coordinates	7218479.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	6,6'-(((2R,3R)-butane-2,3-diyl)bis(oxy)) bis(1,2,4,5-tetrafluoro-3-iodobenzene), tetrapentylammonium bromide
Formula	C52 H60 Br F16 I4 N O4
Calculated formula	C52 H60 Br F16 I4 N O4
Title of publication	Halogen-bonded halide networks from chiral neutral spacers
Authors of publication	Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	1
Pages of publication	50
a	9.9519 ± 0.0003 Å
b	10.6977 ± 0.0003 Å
c	30.4347 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3240.15 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	16
Hermann-Mauguin space group symbol	P 2 2 2
Hall space group symbol	P 2 2
Residual factor for all reflections	0.0781
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1532
Weighted residual factors for all reflections included in the refinement	0.1711
Goodness-of-fit parameter for all reflections included in the refinement	1.162
Diffraction radiation probe	x-ray
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7218479.cif
130989	2015-02-04	cif/ Updating files of 7218474, 7218475, 7218476, 7218477, 7218478, 7218479 Original log message: Adding full bibliography for 7218474--7218479.cif.	7218479.cif
125340	2014-10-15	cif/ Adding structures of 7218474, 7218475, 7218476, 7218477, 7218478, 7218479 via cif-deposit CGI script.	7218479.cif