Crystallography Open Database

Information card for entry 1560726

Preview

Coordinates	1560726.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis(N,N-dimetylformamide)-perchlorato sodium
Formula	C6 H14 Cl N2 Na O6
Calculated formula	C6 H14 Cl N2 Na O6
SMILES	Cl(=O)(=O)(=O)[O-].[Na+].O=CN(C)C.O=CN(C)C
Title of publication	Solvate sponge crystals of (DMF)3NaClO4: reversible pressure/temperature controlled juicing in a melt/press-castable sodium-ion conductor
Authors of publication	Prakash, Prabhat; Ardhra, Shylendran; Fall, Birane; Zdilla, Michael J.; Wunder, Stephanie L.; Venkatnathan, Arun
Journal of publication	Chemical Science
Year of publication	2021
Journal volume	12
Journal issue	15
Pages of publication	5574 - 5581
a	9.1493 ± 0.0014 Å
b	10.1833 ± 0.0015 Å
c	13.22 ± 0.002 Å
α	90°
β	108.244 ± 0.003°
γ	90°
Cell volume	1169.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.98 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0414
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.0869
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
265934 (current)	2021-06-05	cif/ Updating files of 1560726 Original log message: Adding full bibliography for 1560726.cif.	1560726.cif
262333	2021-03-02	cif/ Adding structures of 1560726 via cif-deposit CGI script.	1560726.cif