Crystallography Open Database

Information card for entry 7206141

7206140 << 7206141 >> 7206142

Preview

Coordinates	7206141.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 I4 N2
Calculated formula	C12 H14 I4 N2
SMILES	c1cc(c2cc[n+](cc2)C)cc[n+]1C.[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	9.5397 ± 0.001 Å
b	11.3337 ± 0.0011 Å
c	17.3668 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	1877.7 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0217
Residual factor for significantly intense reflections	0.0169
Weighted residual factors for significantly intense reflections	0.036
Weighted residual factors for all reflections included in the refinement	0.037
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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.	7206141.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206141.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206141.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.	7206141.cif