Crystallography Open Database

Information card for entry 7064292

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Coordinates	7064292.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H28 K2.74 Li0.26 Ni6 O15 S8
Calculated formula	C42 H27.999 K2.735 Li0.265 Ni6 O14.9994 S8
Title of publication	The energy-storage mechanism of a battery-type coordination polymer electrode material for hybrid supercapacitors
Authors of publication	Liu, Yuanyuan; Lin, Xihao; Li, Xinhua; Zhang, Weibing; Yang, Zhi; Xu, Xiangju
Journal of publication	New Journal of Chemistry
Year of publication	2026
a	13.2971 ± 0.0009 Å
b	13.2971 ± 0.0009 Å
c	18.6295 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	2852.6 ± 0.4 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	7
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0805
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1067
Weighted residual factors for all reflections included in the refinement	0.1214
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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