Crystallography Open Database

Information card for entry 7236255

Preview

Coordinates	7236255.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	NaMM4411
Formula	C10 H22 N Na O7 S2
Calculated formula	C10 H22 N Na O7 S2
SMILES	C[N+](C)(CCCCS(=O)(=O)[O-])CCCCS(=O)(=O)[O-].[Na+].O
Title of publication	Fluorine-free salts for aqueous lithium-ion and sodium-ion battery electrolytes
Authors of publication	Hosseini-Bab-Anari, Elham; Boschin, Andrea; Mandai, Toshihiko; Masu, Hyuma; Moth-Poulsen, Kasper; Johansson, Patrik
Journal of publication	RSC Advances
Year of publication	2016
Journal volume	6
Journal issue	88
Pages of publication	85194
a	29.6781 ± 0.0016 Å
b	10.9086 ± 0.0006 Å
c	9.8067 ± 0.0005 Å
α	90°
β	104.142 ± 0.0006°
γ	90°
Cell volume	3078.7 ± 0.3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.1228
Weighted residual factors for all reflections included in the refinement	0.1398
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
235321 (current)	2019-11-23	cif/ Adding structures of 7236254, 7236255 via cif-deposit CGI script.	7236255.cif