Crystallography Open Database

Information card for entry 7209980

7209979 << 7209980 >> 7209981

Preview

Coordinates	7209980.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H10 I4 N4
Calculated formula	C6 H10 I4 N4
SMILES	c1[nH]cc[nH+]1.c1[nH]cc[nH+]1.[I-].I[I-]I
Title of publication	Synthesis, crystal structure and phase transitions of a series of imidazolium iodides
Authors of publication	Węcławik, Magdalena; Gągor, Anna; Piecha, Anna; Jakubas, Ryszard; Medycki, Wojciech
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	28
Pages of publication	5633
a	13.9633 ± 0.0016 Å
b	15.6595 ± 0.001 Å
c	14.9399 ± 0.0013 Å
α	90°
β	116.778 ± 0.007°
γ	90°
Cell volume	2916.4 ± 0.5 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	115 ± 2 K
Number of distinct elements	4
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	0.0581
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1224
Weighted residual factors for all reflections included in the refinement	0.1289
Goodness-of-fit parameter for all reflections included in the refinement	1.201
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
212110 (current)	2018-11-22	cif/7 Fixing some Z values and formulae	7209980.cif
180430	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 7/20/99.	7209980.cif
86889	2013-07-12	cif/ Adding structures of 7209977, 7209978, 7209979, 7209980, 7209981 via cif-deposit CGI script.	7209980.cif