Crystallography Open Database

Information card for entry 8103298

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Coordinates	8103298.cif

Structure parameters

Formula	C11 H23 N2 O3 P Se
Calculated formula	C11 H23 N2 O3 P Se
Title of publication	Crystal structure of 1-butyl-2,3-dimethylimidazolium O,Se-dimethyl selenophosphate, [C9H17N2][C2H6O3PSe], a new ionic liquid
Authors of publication	Carmen Froschauer; Klaus Wurst; Gerhard Laus; Hedda K. Weber; Herwig Schottenberger
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2012
Journal volume	227
Journal issue	1
Pages of publication	21
a	7.1451 ± 0.0002 Å
b	8.5754 ± 0.0003 Å
c	14.0997 ± 0.0006 Å
α	73.547 ± 0.002°
β	80.983 ± 0.002°
γ	75.553 ± 0.002°
Cell volume	798.89 ± 0.05 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0483
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.0956
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8103298.cif
176728	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.	8103298.cif
52263	2012-04-09	../uploads/cif-deposit/cod/cif Adding structures of 8103298 via cif-deposit CGI script.	8103298.cif