Crystallography Open Database

Information card for entry 7206139

7206138 << 7206139 >> 7206140

Preview

Coordinates	7206139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H16 F8 I4 N2
Calculated formula	C26 H16 F8 I4 N2
Title of publication	Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts
Authors of publication	García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	13
Pages of publication	4411
a	39.119 ± 0.005 Å
b	6.1713 ± 0.0008 Å
c	12.324 ± 0.002 Å
α	90°
β	92.106 ± 0.016°
γ	90°
Cell volume	2973.2 ± 0.7 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0505
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0688
Weighted residual factors for all reflections included in the refinement	0.0798
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
180392 (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 7/20/61.	7206139.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206139.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206139.cif
23526	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7206137, 7206138, 7206139, 7206140, 7206141, 7206142, 7206143, 7206144 via cif-deposit CGI script.	7206139.cif