Crystallography Open Database

Information card for entry 7037952

Preview

Coordinates	7037952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H30 Cl3 Cu N4
Calculated formula	C16 H30 Cl3 Cu N4
Title of publication	Ionic liquid, glass or crystalline solid? Structures and thermal behaviour of (C4mim)2CuCl3.
Authors of publication	Zürner, Philipp; Schmidt, Horst; Bette, Sebastian; Wagler, Jörg; Frisch, Gero
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	8
Pages of publication	3327 - 3333
a	12.854 ± 0.002 Å
b	11.2524 ± 0.0013 Å
c	15.806 ± 0.004 Å
α	90°
β	109.355 ± 0.016°
γ	90°
Cell volume	2156.9 ± 0.7 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0372
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.0836
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
177823 (current)	2016-03-05	cif/ Updating files of 7037952, 7037953, 7037954 Original log message: Adding full bibliography for 7037952--7037954.cif.	7037952.cif
174455	2016-01-14	cif/ Adding structures of 7037952, 7037953, 7037954 via cif-deposit CGI script.	7037952.cif