Crystallography Open Database

Information card for entry 7237161

Preview

Coordinates	7237161.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H76 Cl4 Co6 N18 P6 S8
Calculated formula	C36 H76 Cl4 Co6 N18 P6 S8
Title of publication	A cobalt sulfide cluster-based catholyte for aqueous flow battery applications
Authors of publication	Freeman, Matthew B.; Wang, Le; Jones, Daniel S.; Bejger, Christopher M.
Journal of publication	Journal of Materials Chemistry A
Year of publication	2018
Journal volume	6
Journal issue	44
Pages of publication	21927
a	23.1218 ± 0.0019 Å
b	10.7247 ± 0.0009 Å
c	24.0502 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	5963.8 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0753
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1025
Weighted residual factors for all reflections included in the refinement	0.1136
Goodness-of-fit parameter for all reflections included in the refinement	1.0052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7237161.html