Crystallography Open Database

Information card for entry 7112644

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Coordinates	7112644.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H82 Cl2 Mg5 O18
Calculated formula	C62 H82 Cl2 Mg5 O18
Title of publication	Enhanced oxidative stability of non-Grignard magnesium electrolytes through ligand modification
Authors of publication	Emily G. Nelson; Jeff W. Kampf; Bart M. Bartlett
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	5193
a	14.4018 ± 0.0005 Å
b	24.2154 ± 0.0008 Å
c	19.5295 ± 0.0007 Å
α	90°
β	104.543 ± 0.001°
γ	90°
Cell volume	6592.6 ± 0.4 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 2 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	0.0575
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.1067
Weighted residual factors for all reflections included in the refinement	0.1178
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7112644.cif
180240	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/26.	7112644.cif
111526	2014-04-24	cif/ Adding structures of 7112644, 7112645 via cif-deposit CGI script.	7112644.cif