Crystallography Open Database

Information card for entry 8102511

Preview

Coordinates	8102511.cif

Structure parameters

Chemical name	1,1,3-trimethyl-2-oxo-imidazolidinium iodide water solvate
Formula	C6 H13 I N2 O1.13
Calculated formula	C6 H13 I N2 O1.13
Title of publication	Crystal structure of 1,1,3-trimethyl-2-oxoimidazolidinium iodide — water (1:0.13), [C6H13N2O]I · 0.13H2O
Authors of publication	Wolfgang Frey; Hend Mohamed El Sehrawi; Dietrich Spitzner; Volker Jäger
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	4
Pages of publication	589
a	11.91 ± 0.002 Å
b	8.0105 ± 0.0017 Å
c	10.071 ± 0.002 Å
α	90°
β	91.243 ± 0.017°
γ	90°
Cell volume	960.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0463
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.0858
Weighted residual factors for all reflections included in the refinement	0.0882
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102511.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102511.cif
13250	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102511 via cif-deposit CGI script.	8102511.cif