Crystallography Open Database

Information card for entry 7224337

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Coordinates	7224337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 N O4 S6
Calculated formula	C16 H14 N O4 S6
Title of publication	Effect of conjugated structures of bipyridinium cations on ion assembly and charge-transfer of their tetrathiafulvalene-bicarboxylate salts
Authors of publication	Huo, Peng; Li, Yan-Hong; Xue, Li-Jun; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	11
Pages of publication	1904
a	8.837 ± 0.003 Å
b	9.956 ± 0.002 Å
c	12.431 ± 0.004 Å
α	67.08 ± 0.02°
β	85.63 ± 0.03°
γ	73.08 ± 0.02°
Cell volume	962.9 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0577
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1033
Weighted residual factors for all reflections included in the refinement	0.1277
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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