Crystallography Open Database

Information card for entry 4130519

Preview

Coordinates	4130519.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H18 F12 Mg N6 P2
Calculated formula	C12 H18 F12 Mg N6 P2
Title of publication	Mg(PF6)2-Based Electrolyte Systems: Understanding Electrolyte-Electrode Interactions for the Development of Mg-Ion Batteries.
Authors of publication	Keyzer, Evan N.; Glass, Hugh F. J.; Liu, Zigeng; Bayley, Paul M.; Dutton, Siân E; Grey, Clare P.; Wright, Dominic S.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	28
Pages of publication	8682 - 8685
a	11.1793 ± 0.0002 Å
b	11.1793 ± 0.0002 Å
c	16.6946 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	1806.91 ± 0.1 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0874
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
240926 (current)	2019-11-25	cif/ Adding structures of 4130519 via cif-deposit CGI script.	4130519.cif