Crystallography Open Database

Information card for entry 7206143

7206142 << 7206143 >> 7206144

Preview

Coordinates	7206143.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 I6 N2
Calculated formula	C12 H14 I6 N2
SMILES	c1cc(cc[n+]1C)c1cc[n+](cc1)C.[I-](I)I.[I-](I)I
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	9.77 ± 0.002 Å
b	7.3538 ± 0.0014 Å
c	14.749 ± 0.003 Å
α	90°
β	92.324 ± 0.015°
γ	90°
Cell volume	1058.8 ± 0.4 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.025
Residual factor for significantly intense reflections	0.0195
Weighted residual factors for significantly intense reflections	0.04
Weighted residual factors for all reflections included in the refinement	0.0416
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
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.	7206143.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206143.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206143.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.	7206143.cif