Crystallography Open Database

Information card for entry 7216746

Preview

Coordinates	7216746.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H28 Cl4 Mg2 O6
Calculated formula	C12 H28 Cl4 Mg2 O6
SMILES	[Mg]123(Cl)([O](C)CC[O]1CC[O]2C)[Cl][Mg]12(Cl)([O](C)CC[O]1CC[O]2C)[Cl]3
Title of publication	Novel transmetalation reaction for electrolyte synthesis for rechargeable magnesium batteries
Authors of publication	Zhao-Karger, Zhirong; Mueller, Jonathan E.; Zhao, Xiangyu; Fuhr, Olaf; Jacob, Timo; Fichtner, Maximilian
Journal of publication	RSC Advances
Year of publication	2014
Journal volume	4
Journal issue	51
Pages of publication	26924
a	10.3321 ± 0.0007 Å
b	7.5712 ± 0.0007 Å
c	14.2704 ± 0.0011 Å
α	90°
β	110.807 ± 0.005°
γ	90°
Cell volume	1043.52 ± 0.15 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0558
Weighted residual factors for all reflections included in the refinement	0.0593
Goodness-of-fit parameter for all reflections included in the refinement	0.858
Diffraction radiation probe	x-ray
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
180498 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/67.	7216746.cif
117998	2014-06-23	cif/ Adding structures of 7216745, 7216746 via cif-deposit CGI script.	7216746.cif