Crystallography Open Database

Information card for entry 7209978

7209977 << 7209978 >> 7209979

Preview

Structure parameters

Formula	C3 H5 I N2
Calculated formula	C3 H5 I N2
SMILES	[I-].[nH]1cc[nH+]c1
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	7.8732 ± 0.0005 Å
b	15.4592 ± 0.0007 Å
c	9.6771 ± 0.0006 Å
α	90°
β	106.647 ± 0.006°
γ	90°
Cell volume	1128.47 ± 0.12 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0683
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.132
Weighted residual factors for all reflections included in the refinement	0.1342
Goodness-of-fit parameter for all reflections included in the refinement	1.276
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
301863 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure.	7209978.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.	7209978.cif
86889	2013-07-12	cif/ Adding structures of 7209977, 7209978, 7209979, 7209980, 7209981 via cif-deposit CGI script.	7209978.cif