Crystallography Open Database

Information card for entry 7209977

7209976 << 7209977 >> 7209978

Preview

Coordinates	7209977.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H3 I3 N2
Calculated formula	C3 H3 I3 N2
SMILES	c1[nH]c(I)c(I)[nH+]1.[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	7.2366 ± 0.0003 Å
b	8.4314 ± 0.0003 Å
c	7.2292 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	441.09 ± 0.03 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	59
Hermann-Mauguin space group symbol	P m m n :2
Hall space group symbol	-P 2ab 2a
Residual factor for all reflections	0.0276
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.0492
Weighted residual factors for all reflections included in the refinement	0.0514
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
180430 (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 7/20/99.	7209977.cif
86889	2013-07-12	cif/ Adding structures of 7209977, 7209978, 7209979, 7209980, 7209981 via cif-deposit CGI script.	7209977.cif