Crystallography Open Database

Information card for entry 7233260

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Coordinates	7233260.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H22 N12 O8 P0 S2
Calculated formula	C8 H20 N12 O8 S2
Title of publication	Supramolecular hydrogen-bonded organic networks through acid–base pairs as efficient proton-conducting electrolytes
Authors of publication	Wei, Mei-Jie; Gao, Ying; Li, Ke; Li, Bo; Fu, Jia-Qi; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	33
Pages of publication	4996
a	6.206 ± 0.005 Å
b	7.228 ± 0.005 Å
c	11.882 ± 0.005 Å
α	93.919 ± 0.005°
β	98.389 ± 0.005°
γ	108.883 ± 0.005°
Cell volume	495.1 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0578
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1399
Weighted residual factors for all reflections included in the refinement	0.1483
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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