Crystallography Open Database

Information card for entry 7230629

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Coordinates	7230629.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	TTF5 complex
Chemical name	TTF5 complex
Formula	C30 H16 F4 I7 S8
Calculated formula	C30 H16 F4 I7 S8
Title of publication	A weaker donor shows higher oxidation state upon aggregation
Authors of publication	Ma, Longfei; Peng, Haili; Lu, Xiaofeng; Liu, Lei; Shao, Xiangfeng
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	31
Pages of publication	17321
a	24.2826 ± 0.0012 Å
b	10.2755 ± 0.0008 Å
c	17.1748 ± 0.001 Å
α	90°
β	96.201 ± 0.005°
γ	90°
Cell volume	4260.3 ± 0.5 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1314
Residual factor for significantly intense reflections	0.0911
Weighted residual factors for significantly intense reflections	0.1612
Weighted residual factors for all reflections included in the refinement	0.1763
Goodness-of-fit parameter for all reflections included in the refinement	1.181
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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